NQK
Summary
| Name: | 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile |
| Formula: | C15 H12 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 313.742 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12ClN5O/c1-20-12-4-3-9(7-13(12)21(2)15(20)22)19-11-5-6-18-14(16)10(11)8-17/h3-7H,1-2H3,(H,18,19) |
| InChIKey | InChI | 1.03 | OTSZAULBNXSOMT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2cc(Nc3ccnc(Cl)c3C#N)ccc12 |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2cc(Nc3ccnc(Cl)c3C#N)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl |
