3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[oxo-[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]pyrazinoic acid Formula: C15H12N6O3 MolecularWeight: 324.29418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)NC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)NC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C15H12N6O3/c22-14(12-13(15(23)24)18-6-5-17-12)20-11-3-1-10(2-4-11)7-21-9-16-8-19-21/h1-6,8-9H,7H2,(H,20,22)(H,23,24)