LHL
Summary
| Name: | 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
| Formula: | C25 H28 Cl2 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 515.435 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 3-(2,6-dichlorophenyl)-7-[[4-(2-diethylaminoethyloxy)phenyl]amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCN(CC)CCOc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1 |
| SMILES | CACTVS | 3.352 | CCN(CC)CCOc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C |
| InChI | InChI | 1.03 | InChI=1S/C25H28Cl2N6O2/c1-4-32(5-2)13-14-35-19-11-9-18(10-12-19)29-24-28-15-17-16-33(25(34)31(3)23(17)30-24)22-20(26)7-6-8-21(22)27/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,29,30) |
| InChIKey | InChI | 1.03 | LQYPBKQMDVWUGO-UHFFFAOYSA-N |
