ethanoic acid; methyl 4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethanoic acid; methyl 4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: acetic acid; methyl 4-(3-bromo-5-methoxy-4-propoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: acetic acid; 4-(3-bromo-5-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: acetic acid; methyl 4-(3-bromo-5-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: acetic acid; 4-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H25BrN2O7 MolecularWeight: 473.315

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C2C(=C(NC(=O)N2)C)C(=O)OC)OC.CC(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C2C(=C(NC(=O)N2)C)C(=O)OC)OC.CC(=O)O

InChI

InChI=1S/C17H21BrN2O5.C2H4O2/c1-5-6-25-15-11(18)7-10(8-12(15)23-3)14-13(16(21)24-4)9(2)19-17(22)20-14;1-2(3)4/h7-8,14H,5-6H2,1-4H3,(H2,19,20,22);1H3,(H,3,4)