EBD
Summary
| Name: | [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl}amino)phenyl]acetonitrile |
| Formula: | C19 H19 N7 |
| Formal charge: | 0 |
| Formula weight: | 345.401 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-pyrimidin-2-yl]amino]phenyl]ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1cnc(Nc2ccc(CC#N)cc2)nc1Nc3cc([nH]n3)C4CC4 |
| SMILES | CACTVS | 3.352 | Cc1cnc(Nc2ccc(CC#N)cc2)nc1Nc3cc([nH]n3)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cnc(nc1Nc2cc([nH]n2)C3CC3)Nc4ccc(cc4)CC#N |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cnc(nc1Nc2cc([nH]n2)C3CC3)Nc4ccc(cc4)CC#N |
| InChI | InChI | 1.03 | InChI=1S/C19H19N7/c1-12-11-21-19(22-15-6-2-13(3-7-15)8-9-20)24-18(12)23-17-10-16(25-26-17)14-4-5-14/h2-3,6-7,10-11,14H,4-5,8H2,1H3,(H3,21,22,23,24,25,26) |
| InChIKey | InChI | 1.03 | IGDWIVFULVHAOF-UHFFFAOYSA-N |
