(phenylmethyl) 2-[2-(3-aminophenyl)-3-chloranyl-5-(methylamino)-6-oxidanylidene-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-(3-aminophenyl)-3-chloranyl-5-(methylamino)-6-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[2-(3-aminophenyl)-3-chloro-5-(methylamino)-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[2-(3-aminophenyl)-3-chloro-5-(methylamino)-6-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-aminophenyl)-3-chloro-5-(methylamino)-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-6-keto-5-(methylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N)Cl

Isomeric SMILES

CNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N)Cl

InChI

InChI=1S/C20H19ClN4O3/c1-23-19-20(27)25(11-16(26)28-12-13-6-3-2-4-7-13)17(18(21)24-19)14-8-5-9-15(22)10-14/h2-10H,11-12,22H2,1H3,(H,23,24)