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

Systemtic Name: propan-2-yl 6-[3-[(3-bromophenyl)carbonylamino]phenyl]-3-butyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-[3-[(3-bromobenzoyl)amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(3-bromophenyl)-oxomethyl]amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[3-[(3-bromobenzoyl)amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(3-bromobenzoyl)amino]phenyl]-3-butyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C26H30BrN3O4 MolecularWeight: 528.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Br)C(=O)OC(C)C)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Br)C(=O)OC(C)C)C

InChI

InChI=1S/C26H30BrN3O4/c1-5-6-13-30-17(4)22(25(32)34-16(2)3)23(29-26(30)33)18-9-8-12-21(15-18)28-24(31)19-10-7-11-20(27)14-19/h7-12,14-16,23H,5-6,13H2,1-4H3,(H,28,31)(H,29,33)