VH8
Summary
| Name: | 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-ethanamide |
| Synonyms: | 2-[[6-[(2-chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide 135386617 |
| Formula: | C18 H15 Cl N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 382.804 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H15ClN6O2/c1-21-17(27)9-23-15-7-16(26)25-13-3-2-10(6-11(13)15)24-14-4-5-22-18(19)12(14)8-20/h2-7H,9H2,1H3,(H,21,27)(H,22,24)(H2,23,25,26) |
| InChIKey | InChI | 1.03 | KFQFCTJGGHXAIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CNC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12 |
| SMILES | CACTVS | 3.385 | CNC(=O)CNC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)CNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)CNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl |
