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

Systemtic Name: 2-[2-(3-aminophenyl)-3-chloranyl-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-aminophenyl)-3-chloro-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[2-(3-aminophenyl)-3-chloro-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-(3-aminophenyl)-3-chloro-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-6-keto-5-(phenethylamino)pyrazin-1-yl]acetic acid Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)O)C3=CC(=CC=C3)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)O)C3=CC(=CC=C3)N)Cl

InChI

InChI=1S/C20H19ClN4O3/c21-18-17(14-7-4-8-15(22)11-14)25(12-16(26)27)20(28)19(24-18)23-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12,22H2,(H,23,24)(H,26,27)