D8Q
Summary
| Name: | ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide |
| Formula: | C9 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 195.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H13N3O2/c1-12-6-7(2-3-8(12)13)9(14)11-5-4-10/h2-3,6H,4-5,10H2,1H3,(H,11,14) |
| InChIKey | InChI | 1.03 | MBASUXNNJWJUFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(C=CC1=O)C(=O)NCCN |
| SMILES | CACTVS | 3.385 | CN1C=C(C=CC1=O)C(=O)NCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=C(C=CC1=O)C(=O)NCCN |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=C(C=CC1=O)C(=O)NCCN |
