QRR
Summary
| Name: | 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
| Formula: | C18 H20 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 357.837 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H20ClN5O/c1-21-18-22-11-12-10-14(13-6-2-3-7-15(13)19)17(25)24(16(12)23-18)9-5-4-8-20/h2-3,6-7,10-11H,4-5,8-9,20H2,1H3,(H,21,22,23) |
| InChIKey | InChI | 1.06 | DVQJNPZTPKFTFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3ccccc3Cl |
| SMILES | CACTVS | 3.385 | CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3ccccc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccccc3Cl)CCCCN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccccc3Cl)CCCCN |
