ethyl 3-butyl-6-[3-[(2-chloranyl-2-phenyl-ethanoyl)amino]phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-butyl-6-[3-[(2-chloranyl-2-phenyl-ethanoyl)amino]phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-[(2-chloro-2-phenyl-acetyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[(2-chloro-1-oxo-2-phenylethyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-[(2-chloro-2-phenylacetyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(2-chloro-2-phenyl-acetyl)amino]phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H32ClN3O4 MolecularWeight: 546.05648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C(C3=CC=CC=C3)Cl)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C(C3=CC=CC=C3)Cl)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C31H32ClN3O4/c1-3-5-19-35-28(22-15-10-7-11-16-22)25(30(37)39-4-2)27(34-31(35)38)23-17-12-18-24(20-23)33-29(36)26(32)21-13-8-6-9-14-21/h6-18,20,26-27H,3-5,19H2,1-2H3,(H,33,36)(H,34,38)