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

Systemtic Name: (phenylmethyl) 2-[2-(3-aminophenyl)-3-chloranyl-6-oxidanylidene-5-(pentan-3-ylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[2-(3-aminophenyl)-3-chloro-5-(1-ethylpropylamino)-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[2-(3-aminophenyl)-3-chloro-6-oxo-5-(pentan-3-ylamino)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-aminophenyl)-3-chloro-6-oxo-5-(pentan-3-ylamino)pyrazin-1-yl]acetate Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-5-(1-ethylpropylamino)-6-keto-pyrazin-1-yl]acetic acid benzyl ester Formula: C24H27ClN4O3 MolecularWeight: 454.94918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N)Cl

Isomeric SMILES

CCC(CC)NC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N)Cl

InChI

InChI=1S/C24H27ClN4O3/c1-3-19(4-2)27-23-24(31)29(14-20(30)32-15-16-9-6-5-7-10-16)21(22(25)28-23)17-11-8-12-18(26)13-17/h5-13,19H,3-4,14-15,26H2,1-2H3,(H,27,28)