6-chloranyl-3-methoxy-5-[(phenylmethyl)amino]pyrazine-2-carboxylic acid

Systemtic Name: 6-chloranyl-3-methoxy-5-[(phenylmethyl)amino]pyrazine-2-carboxylic acid Openeye Name: 5-(benzylamino)-6-chloro-3-methoxy-pyrazine-2-carboxylic acid CAS Name: 6-chloro-3-methoxy-5-[(phenylmethyl)amino]-2-pyrazinecarboxylic acid IUPAC Name: 5-(benzylamino)-6-chloro-3-methoxypyrazine-2-carboxylic acid Traditional Name: 5-(benzylamino)-6-chloro-3-methoxy-pyrazinoic acid Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(C(=N1)NCC2=CC=CC=C2)Cl)C(=O)O

Isomeric SMILES

COC1=C(N=C(C(=N1)NCC2=CC=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C13H12ClN3O3/c1-20-12-9(13(18)19)16-10(14)11(17-12)15-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,17)(H,18,19)