3-(3-methylbutanoylamino)pyrazine-2-carboxylic acid

Systemtic Name: 3-(3-methylbutanoylamino)pyrazine-2-carboxylic acid Openeye Name: 3-(3-methylbutanoylamino)pyrazine-2-carboxylic acid CAS Name: 3-[(3-methyl-1-oxobutyl)amino]-2-pyrazinecarboxylic acid IUPAC Name: 3-(3-methylbutanoylamino)pyrazine-2-carboxylic acid Traditional Name: 3-(isovalerylamino)pyrazinoic acid Formula: C10H13N3O3 MolecularWeight: 223.22852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC=CN=C1C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=NC=CN=C1C(=O)O

InChI

InChI=1S/C10H13N3O3/c1-6(2)5-7(14)13-9-8(10(15)16)11-3-4-12-9/h3-4,6H,5H2,1-2H3,(H,15,16)(H,12,13,14)