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

Systemtic Name: 2-[2-(3-aminophenyl)-3-chloranyl-6-oxidanylidene-5-(propan-2-ylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-aminophenyl)-3-chloro-5-(isopropylamino)-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[2-(3-aminophenyl)-3-chloro-6-oxo-5-(propan-2-ylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-(3-aminophenyl)-3-chloro-6-oxo-5-(propan-2-ylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-5-(isopropylamino)-6-keto-pyrazin-1-yl]acetic acid Formula: C15H17ClN4O3 MolecularWeight: 336.77348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC(=CC=C2)N)Cl

Isomeric SMILES

CC(C)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC(=CC=C2)N)Cl

InChI

InChI=1S/C15H17ClN4O3/c1-8(2)18-14-15(23)20(7-11(21)22)12(13(16)19-14)9-4-3-5-10(17)6-9/h3-6,8H,7,17H2,1-2H3,(H,18,19)(H,21,22)