methyl 2-(2-bromanyl-5-methoxy-phenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-(2-bromanyl-5-methoxy-phenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 2-(2-bromo-5-methoxy-phenyl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 2-(2-bromo-5-methoxyphenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-bromo-5-methoxyphenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 2-(2-bromo-5-methoxy-phenyl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N=C(N1)C2=C(C=CC(=C2)OC)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=S)N=C(N1)C2=C(C=CC(=C2)OC)Br)C(=O)OC

InChI

InChI=1S/C14H13BrN2O3S/c1-7-11(14(18)20-3)13(21)17-12(16-7)9-6-8(19-2)4-5-10(9)15/h4-6H,1-3H3,(H,16,17,21)