A1CZ3
Summary
| Name: | 6-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methyl-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
| Formula: | C17 H23 N7 O |
| Formal charge: | 0 |
| Formula weight: | 341.411 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 6-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methyl-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 6-[(6-azanyl-2-cyclopropyl-pyrimidin-4-yl)amino]-~{N}-methyl-4-(propan-2-ylamino)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)Nc1cc(ncc1C(=O)NC)Nc1cc(N)nc(n1)C1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C17H23N7O/c1-9(2)21-12-6-14(20-8-11(12)17(25)19-3)23-15-7-13(18)22-16(24-15)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,19,25)(H4,18,20,21,22,23,24) |
| InChIKey | InChI | 1.06 | JZWHUUDQWPHFDT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cnc(Nc2cc(N)nc(n2)C3CC3)cc1NC(C)C |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cnc(Nc2cc(N)nc(n2)C3CC3)cc1NC(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)Nc1cc(ncc1C(=O)NC)Nc2cc(nc(n2)C3CC3)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)Nc1cc(ncc1C(=O)NC)Nc2cc(nc(n2)C3CC3)N |
