methyl 4-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-(3-bromoanilino)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-(3-bromoanilino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C15H14BrN3O4S MolecularWeight: 412.25836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)NC2=CC(=CC=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)NC2=CC(=CC=C2)Br)C(=O)OC

InChI

InChI=1S/C15H14BrN3O4S/c1-8-12(14(21)23-2)13(19-15(22)17-8)24-7-11(20)18-10-5-3-4-9(16)6-10/h3-6H,7H2,1-2H3,(H,18,20)(H,17,19,22)