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

Systemtic Name: (phenylmethyl) 2-[2-(3-aminophenyl)-3-chloranyl-5-(ethylamino)-6-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[2-(3-aminophenyl)-3-chloro-5-(ethylamino)-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[2-(3-aminophenyl)-3-chloro-5-(ethylamino)-6-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-aminophenyl)-3-chloro-5-(ethylamino)-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-5-(ethylamino)-6-keto-pyrazin-1-yl]acetic acid benzyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N)Cl

Isomeric SMILES

CCNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N)Cl

InChI

InChI=1S/C21H21ClN4O3/c1-2-24-20-21(28)26(12-17(27)29-13-14-7-4-3-5-8-14)18(19(22)25-20)15-9-6-10-16(23)11-15/h3-11H,2,12-13,23H2,1H3,(H,24,25)