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

Systemtic Name: (phenylmethyl) 2-[2-(3-aminophenyl)-3-chloranyl-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[2-(3-aminophenyl)-3-chloro-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate CAS Name: 2-[2-(3-aminophenyl)-3-chloro-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-aminophenyl)-3-chloro-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-6-keto-5-(phenethylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C27H25ClN4O3 MolecularWeight: 488.9654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)N)Cl

InChI

InChI=1S/C27H25ClN4O3/c28-25-24(21-12-7-13-22(29)16-21)32(17-23(33)35-18-20-10-5-2-6-11-20)27(34)26(31-25)30-15-14-19-8-3-1-4-9-19/h1-13,16H,14-15,17-18,29H2,(H,30,31)