PVT
Summary
| Name: | 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one |
| Formula: | C19 H15 F3 N6 O |
| Formal charge: | 0 |
| Formula weight: | 400.357 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H15F3N6O/c20-19(21,22)14-10-25-18(28-17(14)24-9-11-2-1-5-23-8-11)26-13-3-4-15-12(6-13)7-16(29)27-15/h1-6,8,10H,7,9H2,(H,27,29)(H2,24,25,26,28) |
| InChIKey | InChI | 1.03 | HOEAQQRLTIBABU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc4cccnc4 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc4cccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F |
