5-bromanyl-N-(4-methoxyphenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(4-methoxyphenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(4-methoxyphenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(4-methoxyphenyl)-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-bromo-N-(4-methoxyphenyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C13H12BrN3O2S MolecularWeight: 354.22228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Br)SC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Br)SC

InChI

InChI=1S/C13H12BrN3O2S/c1-19-9-5-3-8(4-6-9)16-12(18)11-10(14)7-15-13(17-11)20-2/h3-7H,1-2H3,(H,16,18)