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

Systemtic Name: 2-[2-(3-aminophenyl)-5-(butylamino)-3-chloranyl-6-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-aminophenyl)-5-(butylamino)-3-chloro-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[2-(3-aminophenyl)-5-(butylamino)-3-chloro-6-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-(3-aminophenyl)-5-(butylamino)-3-chloro-6-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[2-(3-aminophenyl)-5-(butylamino)-3-chloro-6-keto-pyrazin-1-yl]acetic acid Formula: C16H19ClN4O3 MolecularWeight: 350.80006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4O3/c1-2-3-7-19-15-16(24)21(9-12(22)23)13(14(17)20-15)10-5-4-6-11(18)8-10/h4-6,8H,2-3,7,9,18H2,1H3,(H,19,20)(H,22,23)