(2,5-dimethylphenyl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (2,5-dimethylphenyl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (2,5-dimethylbenzyl) ester Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C15H15ClN2O2S/c1-9-4-5-10(2)11(6-9)8-20-14(19)13-12(16)7-17-15(18-13)21-3/h4-7H,8H2,1-3H3