RI01722001 | Avapritinib,1TMS,isomer#1 | JsmolCN1C=C(C2=CN3N=CN=C(N4CCN(C5=NC=C([C@@](C)(N[Si](C)(C)C)C6=CC=C(F)C=C6)C=N5)CC4)C3=C2)C=N1 | TMS | 570.2799 | Standard polar | 6154.437 |
RI01722000 | Avapritinib,2TBDMS,isomer#1 | JsmolCN1C=C(C2=CN3N=CN=C(N4CCN(C5=NC=C([C@](C)(C6=CC=C(F)C=C6)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=N5)CC4)C3=C2)C=N1 | TBDMS | 726.4134 | Semi standard non polar | 5197.144 |
RI01721999 | Avapritinib,1TBDMS,isomer#1 | JsmolCN1C=C(C2=CN3N=CN=C(N4CCN(C5=NC=C([C@@](C)(N[Si](C)(C)C(C)(C)C)C6=CC=C(F)C=C6)C=N5)CC4)C3=C2)C=N1 | TBDMS | 612.3269 | Semi standard non polar | 5166.9727 |
RI01721998 | Avapritinib,2TMS,isomer#1 | JsmolCN1C=C(C2=CN3N=CN=C(N4CCN(C5=NC=C([C@](C)(C6=CC=C(F)C=C6)N([Si](C)(C)C)[Si](C)(C)C)C=N5)CC4)C3=C2)C=N1 | TMS | 642.3195 | Semi standard non polar | 4863.054 |
RI01721997 | Avapritinib,1TMS,isomer#1 | JsmolCN1C=C(C2=CN3N=CN=C(N4CCN(C5=NC=C([C@@](C)(N[Si](C)(C)C)C6=CC=C(F)C=C6)C=N5)CC4)C3=C2)C=N1 | TMS | 570.2799 | Semi standard non polar | 4964.0903 |
RI01721996 | Avapritinib,2TBDMS,isomer#1 | JsmolCN1C=C(C2=CN3N=CN=C(N4CCN(C5=NC=C([C@](C)(C6=CC=C(F)C=C6)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=N5)CC4)C3=C2)C=N1 | TBDMS | 726.4134 | Standard non polar | 4937.006 |
RI01721995 | Avapritinib,1TBDMS,isomer#1 | JsmolCN1C=C(C2=CN3N=CN=C(N4CCN(C5=NC=C([C@@](C)(N[Si](C)(C)C(C)(C)C)C6=CC=C(F)C=C6)C=N5)CC4)C3=C2)C=N1 | TBDMS | 612.3269 | Standard non polar | 4688.116 |
RI01721994 | Avapritinib,2TMS,isomer#1 | JsmolCN1C=C(C2=CN3N=CN=C(N4CCN(C5=NC=C([C@](C)(C6=CC=C(F)C=C6)N([Si](C)(C)C)[Si](C)(C)C)C=N5)CC4)C3=C2)C=N1 | TMS | 642.3195 | Standard non polar | 4561.882 |
RI01721993 | Avapritinib,1TMS,isomer#1 | JsmolCN1C=C(C2=CN3N=CN=C(N4CCN(C5=NC=C([C@@](C)(N[Si](C)(C)C)C6=CC=C(F)C=C6)C=N5)CC4)C3=C2)C=N1 | TMS | 570.2799 | Standard non polar | 4497.5874 |
RI01721992 | Vericiguat,4TBDMS,isomer#2 | JsmolCOC(=O)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 882.4823 | Standard polar | 4731.4663 |
RI01721991 | Vericiguat,4TBDMS,isomer#1 | JsmolCOC(=O)N(C1=C(N[Si](C)(C)C(C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 882.4823 | Standard polar | 4569.4575 |
RI01721990 | Vericiguat,3TBDMS,isomer#3 | JsmolCOC(=O)N(C1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 768.3959 | Standard polar | 4917.7695 |
RI01721989 | Vericiguat,3TBDMS,isomer#2 | JsmolCOC(=O)NC1=C(N[Si](C)(C)C(C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 768.3959 | Standard polar | 4975.3936 |
RI01721988 | Vericiguat,3TBDMS,isomer#1 | JsmolCOC(=O)N(C1=C(N[Si](C)(C)C(C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 768.3959 | Standard polar | 4763.497 |
RI01721987 | Vericiguat,2TBDMS,isomer#3 | JsmolCOC(=O)NC1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 654.3094 | Standard polar | 5538.142 |
RI01721986 | Vericiguat,2TBDMS,isomer#2 | JsmolCOC(=O)N(C1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 654.3094 | Standard polar | 5100.2954 |
RI01721985 | Vericiguat,2TBDMS,isomer#1 | JsmolCOC(=O)NC1=C(N[Si](C)(C)C(C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C(C)(C)C | TBDMS | 654.3094 | Standard polar | 5248.037 |
RI01721984 | Vericiguat,1TBDMS,isomer#2 | JsmolCOC(=O)N(C1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N)[Si](C)(C)C(C)(C)C | TBDMS | 540.2229 | Standard polar | 5572.3994 |
RI01721983 | Vericiguat,1TBDMS,isomer#1 | JsmolCOC(=O)NC1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C(C)(C)C | TBDMS | 540.2229 | Standard polar | 5868.49 |
RI01721982 | Vericiguat,5TMS,isomer#1 | JsmolCOC(=O)N(C1=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 786.3341 | Standard polar | 4129.049 |
RI01721981 | Vericiguat,4TMS,isomer#2 | JsmolCOC(=O)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C)[Si](C)(C)C | TMS | 714.2945 | Standard polar | 4633.7705 |
RI01721980 | Vericiguat,4TMS,isomer#1 | JsmolCOC(=O)N(C1=C(N[Si](C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 714.2945 | Standard polar | 4381.655 |
RI01721979 | Vericiguat,3TMS,isomer#3 | JsmolCOC(=O)N(C1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 642.255 | Standard polar | 4856.9287 |
RI01721978 | Vericiguat,3TMS,isomer#2 | JsmolCOC(=O)NC1=C(N[Si](C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C)[Si](C)(C)C | TMS | 642.255 | Standard polar | 4954.1104 |
RI01721977 | Vericiguat,3TMS,isomer#1 | JsmolCOC(=O)N(C1=C(N[Si](C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C)[Si](C)(C)C | TMS | 642.255 | Standard polar | 4640.192 |