2-[3-(butylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(butylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-(butylamino)-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[3-(butylamino)-5-chloro-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-(butylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[3-(butylamino)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

Isomeric SMILES

CCCCNC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C16H18ClN3O3/c1-2-3-9-18-15-16(23)20(10-12(21)22)13(14(17)19-15)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,19)(H,21,22)