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

Systemtic Name: methyl 6-[3-[(2-bromophenyl)carbonylamino]phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[3-[(2-bromobenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(2-bromophenyl)-oxomethyl]amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-[(2-bromobenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(2-bromobenzoyl)amino]phenyl]-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C(=O)OC

InChI

InChI=1S/C21H20BrN3O4/c1-12-17(20(27)29-3)18(24-21(28)25(12)2)13-7-6-8-14(11-13)23-19(26)15-9-4-5-10-16(15)22/h4-11,18H,1-3H3,(H,23,26)(H,24,28)