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

Systemtic Name: (phenylmethyl) 2-[2-(3-aminophenyl)-5-(butylamino)-3-chloranyl-6-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[2-(3-aminophenyl)-5-(butylamino)-3-chloro-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[2-(3-aminophenyl)-5-(butylamino)-3-chloro-6-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-aminophenyl)-5-(butylamino)-3-chloro-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[2-(3-aminophenyl)-5-(butylamino)-3-chloro-6-keto-pyrazin-1-yl]acetic acid benzyl ester Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N)Cl

Isomeric SMILES

CCCCNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N)Cl

InChI

InChI=1S/C23H25ClN4O3/c1-2-3-12-26-22-23(30)28(14-19(29)31-15-16-8-5-4-6-9-16)20(21(24)27-22)17-10-7-11-18(25)13-17/h4-11,13H,2-3,12,14-15,25H2,1H3,(H,26,27)