NTW
Summary
| Name: | 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile |
| Formula: | C15 H18 N4 O |
| Formal charge: | 0 |
| Formula weight: | 270.33 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H18N4O/c1-9-14-12(8-13(20)17-15(14)19-18-9)11-4-2-10(3-5-11)6-7-16/h8,10-11H,2-6H2,1H3,(H2,17,18,19,20)/t10-,11- |
| InChIKey | InChI | 1.03 | ZPCWQNHNXIMUEY-XYPYZODXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n[nH]c2NC(=O)C=C([C@H]3CC[C@@H](CC3)CC#N)c12 |
| SMILES | CACTVS | 3.385 | Cc1n[nH]c2NC(=O)C=C([CH]3CC[CH](CC3)CC#N)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c([nH]n1)NC(=O)C=C2C3CCC(CC3)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c([nH]n1)NC(=O)C=C2C3CCC(CC3)CC#N |
