0YI
Summary
| Name: | 3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide |
| Formula: | C12 H11 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 262.695 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)7-17-12-10(11(14)18)15-5-6-16-12/h1-6H,7H2,(H2,14,18)(H,16,17) |
| InChIKey | InChI | 1.03 | SZIKCJPPVPPUMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1nccnc1NCc2ccccc2Cl |
| SMILES | CACTVS | 3.385 | NC(=O)c1nccnc1NCc2ccccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl |
