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

Systemtic Name: 3-methylbutyl 4-(3-bromanyl-4-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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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)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O4/c1-10(2)7-8-25-17(22)15-11(3)20-18(23)21-16(15)12-5-6-14(24-4)13(19)9-12/h5-6,9-10,16H,7-8H2,1-4H3,(H2,20,21,23)