ethanoic acid; methyl 2-[[4-(5-bromanyl-2-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: ethanoic acid; methyl 2-[[4-(5-bromanyl-2-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: acetic acid; methyl 2-[[4-(5-bromo-2-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate CAS Name: acetic acid; 2-[[[4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: acetic acid; methyl 2-[[4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate Traditional Name: acetic acid; 2-[[4-(5-bromo-2-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C23H24BrN3O7 MolecularWeight: 534.35656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)Br)OC)C(=O)NC3=CC=CC=C3C(=O)OC.CC(=O)O

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)Br)OC)C(=O)NC3=CC=CC=C3C(=O)OC.CC(=O)O

InChI

InChI=1S/C21H20BrN3O5.C2H4O2/c1-11-17(19(26)24-15-7-5-4-6-13(15)20(27)30-3)18(25-21(28)23-11)14-10-12(22)8-9-16(14)29-2;1-2(3)4/h4-10,18H,1-3H3,(H,24,26)(H2,23,25,28);1H3,(H,3,4)