| PDB CCD ID: | T27 |
| Number of entries in BioLiP: | 31 |
| Chemical formula: | C22 H18 N6 |
| InChI: | InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+ |
| InChIKey: | YIBOMRUWOWDFLG-ONEGZZNKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | Cc1cc(C=CC#N)cc(C)c1Nc2ccnc(Nc3ccc(cc3)C#N)n2 | | ACDLabs 12.01 | N#C\C=C\c1cc(c(c(c1)C)Nc2nc(ncc2)Nc3ccc(C#N)cc3)C | | OpenEye OEToolkits 1.7.6 | Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N | | CACTVS 3.370 | Cc1cc(/C=C/C#N)cc(C)c1Nc2ccnc(Nc3ccc(cc3)C#N)n2 | | OpenEye OEToolkits 1.7.6 | Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)C=CC#N |
|
| Name: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile;
Rilpivirine |
| ChEMBL: | CHEMBL175691 |
| DrugBank: | DB08864 |
| ZINC: | ZINC000001554274 |
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