(3,4-dimethylphenyl) 5-chloranyl-2-propan-2-ylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 5-chloranyl-2-propan-2-ylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (3,4-dimethylphenyl) 5-chloro-2-isopropylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(propan-2-ylthio)-4-pyrimidinecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 5-chloro-2-propan-2-ylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(isopropylthio)pyrimidine-4-carboxylic acid (3,4-dimethylphenyl) ester Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SC(C)C)C

InChI

InChI=1S/C16H17ClN2O2S/c1-9(2)22-16-18-8-13(17)14(19-16)15(20)21-12-6-5-10(3)11(4)7-12/h5-9H,1-4H3