2-cyclohexyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: 2-cyclohexyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: 2-cyclohexyl-4-methyl-6-(m-tolylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 2-cyclohexyl-4-methyl-6-[(3-methylphenyl)methylthio]-5-pyrimidinecarboxylate IUPAC Name: 2-cyclohexyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 2-cyclohexyl-4-methyl-6-[(3-methylbenzyl)thio]pyrimidine-5-carboxylate Formula: C20H23N2O2S- MolecularWeight: 355.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=NC(=C2C(=O)[O-])C)C3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=NC(=C2C(=O)[O-])C)C3CCCCC3

InChI

InChI=1S/C20H24N2O2S/c1-13-7-6-8-15(11-13)12-25-19-17(20(23)24)14(2)21-18(22-19)16-9-4-3-5-10-16/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,23,24)/p-1