(4-methoxyphenyl) 5-bromanyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate

Systemtic Name: (4-methoxyphenyl) 5-bromanyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate Openeye Name: (4-methoxyphenyl) 2-benzylsulfanyl-5-bromo-pyrimidine-4-carboxylate CAS Name: 5-bromo-2-(phenylmethylthio)-4-pyrimidinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 2-benzylsulfanyl-5-bromopyrimidine-4-carboxylate Traditional Name: 2-(benzylthio)-5-bromo-pyrimidine-4-carboxylic acid (4-methoxyphenyl) ester Formula: C19H15BrN2O3S MolecularWeight: 431.303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC=C3

InChI

InChI=1S/C19H15BrN2O3S/c1-24-14-7-9-15(10-8-14)25-18(23)17-16(20)11-21-19(22-17)26-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3