TGW
Summary
| Name: | (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one |
| Formula: | C14 H11 Cl2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 308.163 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11Cl2N3O/c1-19-12-10(3-2-6-17-12)14(20)18-13(19)9-5-4-8(15)7-11(9)16/h2-7,13H,1H3,(H,18,20)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | REZFMSXTMURZKT-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@@H](NC(=O)c2cccnc12)c3ccc(Cl)cc3Cl |
| SMILES | CACTVS | 3.385 | CN1[CH](NC(=O)c2cccnc12)c3ccc(Cl)cc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1c2c(cccn2)C(=O)N[C@H]1c3ccc(cc3Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1c2c(cccn2)C(=O)NC1c3ccc(cc3Cl)Cl |
