2-methylpropyl 6-[3-[(2-bromophenyl)carbonylamino]phenyl]-3-butyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 6-[3-[(2-bromophenyl)carbonylamino]phenyl]-3-butyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[3-[(2-bromobenzoyl)amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(2-bromophenyl)-oxomethyl]amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[3-[(2-bromobenzoyl)amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(2-bromobenzoyl)amino]phenyl]-3-butyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H32BrN3O4 MolecularWeight: 542.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C(=O)OCC(C)C)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C(=O)OCC(C)C)C

InChI

InChI=1S/C27H32BrN3O4/c1-5-6-14-31-18(4)23(26(33)35-16-17(2)3)24(30-27(31)34)19-10-9-11-20(15-19)29-25(32)21-12-7-8-13-22(21)28/h7-13,15,17,24H,5-6,14,16H2,1-4H3,(H,29,32)(H,30,34)