VHK
Summary
| Name: | 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile |
| Formula: | C17 H14 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 339.779 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1~{H}-quinolin-6-yl]amino]pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14ClN5O/c1-2-20-15-8-16(24)23-13-4-3-10(7-11(13)15)22-14-5-6-21-17(18)12(14)9-19/h3-8H,2H2,1H3,(H,21,22)(H2,20,23,24) |
| InChIKey | InChI | 1.03 | HQTXWNXINXRBIU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12 |
| SMILES | CACTVS | 3.385 | CCNC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl |
