methyl 4-[(5-bromanyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(5-bromanyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(5-bromo-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[[5-bromo-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[5-bromo-2-(methylthio)pyrimidine-4-carbonyl]amino]benzoic acid methyl ester Formula: C14H12BrN3O3S MolecularWeight: 382.23238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrN3O3S/c1-21-13(20)8-3-5-9(6-4-8)17-12(19)11-10(15)7-16-14(18-11)22-2/h3-7H,1-2H3,(H,17,19)