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 |