2-cyclohexyl-4-methyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: 2-cyclohexyl-4-methyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: 4-benzylsulfanyl-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-cyclohexyl-4-methyl-6-(phenylmethylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-benzylsulfanyl-2-cyclohexyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-(benzylthio)-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylate Formula: C19H21N2O2S- MolecularWeight: 341.44724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCCC2)SCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCCC2)SCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H22N2O2S/c1-13-16(19(22)23)18(24-12-14-8-4-2-5-9-14)21-17(20-13)15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H,22,23)/p-1