ethyl 4-(3-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCC3=CC=CC=C3C2)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCC3=CC=CC=C3C2)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H22BrN3O3/c1-2-29-21(28)18-19(15-8-5-9-17(23)12-15)24-22(25-20(18)27)26-11-10-14-6-3-4-7-16(14)13-26/h3-9,12,18-19H,2,10-11,13H2,1H3,(H,24,25,27)