butyl 4-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]benzoic acid butyl ester Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C17H18ClN3O3S/c1-3-4-9-24-16(23)11-5-7-12(8-6-11)20-15(22)14-13(18)10-19-17(21-14)25-2/h5-8,10H,3-4,9H2,1-2H3,(H,20,22)