ethyl 3-butyl-2-oxidanylidene-4-phenyl-6-[3-[(phenylmethyl)carbamoylamino]phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-butyl-2-oxidanylidene-4-phenyl-6-[3-[(phenylmethyl)carbamoylamino]phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(benzylcarbamoylamino)phenyl]-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-2-oxo-6-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(benzylcarbamoylamino)phenyl]-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(benzylcarbamoylamino)phenyl]-3-butyl-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C31H34N4O4/c1-3-5-19-35-28(23-15-10-7-11-16-23)26(29(36)39-4-2)27(34-31(35)38)24-17-12-18-25(20-24)33-30(37)32-21-22-13-8-6-9-14-22/h6-18,20,27H,3-5,19,21H2,1-2H3,(H,34,38)(H2,32,33,37)