2-methylpropyl 4-(3-bromanyl-4-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-(3-bromanyl-4-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-(3-bromo-4-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC)Br)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC)Br)C(=O)OCC(C)C

InChI

InChI=1S/C17H21BrN2O4/c1-9(2)8-24-16(21)14-10(3)19-17(22)20-15(14)11-5-6-13(23-4)12(18)7-11/h5-7,9,15H,8H2,1-4H3,(H2,19,20,22)