methyl 4-[(5-chloranyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(5-chloranyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(5-chloro-2-isopropylsulfanyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[[5-chloro-2-(propan-2-ylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-2-propan-2-ylsulfanylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[5-chloro-2-(isopropylthio)pyrimidine-4-carbonyl]amino]benzoic acid methyl ester Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)OC)Cl

Isomeric SMILES

CC(C)SC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)OC)Cl

InChI

InChI=1S/C16H16ClN3O3S/c1-9(2)24-16-18-8-12(17)13(20-16)14(21)19-11-6-4-10(5-7-11)15(22)23-3/h4-9H,1-3H3,(H,19,21)