NQE
Summary
| Name: | 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile |
| Formula: | C15 H13 N5 O |
| Formal charge: | 0 |
| Formula weight: | 279.297 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H13N5O/c1-19-12-6-5-11(8-13(12)20(2)15(19)21)18-14-10(9-16)4-3-7-17-14/h3-8H,1-2H3,(H,17,18) |
| InChIKey | InChI | 1.03 | PLONIHFWCNPQPN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2cc(Nc3ncccc3C#N)ccc12 |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2cc(Nc3ncccc3C#N)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N |
