59N
Summary
| Name: | 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one |
| Formula: | C27 H30 Cl N7 O |
| Formal charge: | 0 |
| Formula weight: | 504.026 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one |
| OpenEye OEToolkits | 1.9.2 | 8-[(4-azanylcyclohexyl)methyl]-6-[2-chloranyl-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(c4nc3N(C(=O)C(c1ccc(cc1Cl)c2nc(cnc2)C)=Cc3cn4)CC5CCC(N)CC5)CC |
| InChI | InChI | 1.03 | InChI=1S/C27H30ClN7O/c1-3-31-27-32-13-19-10-22(21-9-6-18(11-23(21)28)24-14-30-12-16(2)33-24)26(36)35(25(19)34-27)15-17-4-7-20(29)8-5-17/h6,9-14,17,20H,3-5,7-8,15,29H2,1-2H3,(H,31,32,34)/t17-,20- |
| InChIKey | InChI | 1.03 | PJYRMGKJLXENCU-IRJFHVNHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNc1ncc2C=C(C(=O)N(C[C@H]3CC[C@H](N)CC3)c2n1)c4ccc(cc4Cl)c5cncc(C)n5 |
| SMILES | CACTVS | 3.385 | CCNc1ncc2C=C(C(=O)N(C[CH]3CC[CH](N)CC3)c2n1)c4ccc(cc4Cl)c5cncc(C)n5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cncc(n4)C)CC5CCC(CC5)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cncc(n4)C)CC5CCC(CC5)N |
