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

Systemtic Name: methyl 2-[[4-(3-bromanyl-2-chloranyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-(3-bromo-2-chloro-4-hydroxy-5-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 2-[[[4-(3-bromo-2-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-bromo-2-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 2-[[4-(3-bromo-2-chloro-4-hydroxy-5-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C21H19BrClN3O6 MolecularWeight: 524.74906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2Cl)Br)O)OC)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2Cl)Br)O)OC)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H19BrClN3O6/c1-9-14(19(28)25-12-7-5-4-6-10(12)20(29)32-3)17(26-21(30)24-9)11-8-13(31-2)18(27)15(22)16(11)23/h4-8,17,27H,1-3H3,(H,25,28)(H2,24,26,30)