ethyl 6-[3-[(4-bromophenyl)carbonylamino]phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[3-[(4-bromophenyl)carbonylamino]phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(4-bromobenzoyl)amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(4-bromophenyl)-oxomethyl]amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(4-bromobenzoyl)amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-bromobenzoyl)amino]phenyl]-2-keto-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H28BrN3O4 MolecularWeight: 562.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C29H28BrN3O4/c1-3-17-33-26(19-9-6-5-7-10-19)24(28(35)37-4-2)25(32-29(33)36)21-11-8-12-23(18-21)31-27(34)20-13-15-22(30)16-14-20/h5-16,18,25H,3-4,17H2,1-2H3,(H,31,34)(H,32,36)