methyl 6-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(3-bromo-4,5-dihydroxy-phenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromo-4,5-dihydroxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-bromo-4,5-dihydroxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-bromo-4,5-dihydroxy-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C14H15BrN2O5 MolecularWeight: 371.1833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Br)O)O)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Br)O)O)C(=O)OC

InChI

InChI=1S/C14H15BrN2O5/c1-6-10(13(20)22-3)11(16-14(21)17(6)2)7-4-8(15)12(19)9(18)5-7/h4-5,11,18-19H,1-3H3,(H,16,21)