2-cyclohexyl-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 2-cyclohexyl-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 2-cyclohexyl-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-cyclohexyl-4-methyl-6-(phenethylthio)-5-pyrimidinecarboxylate IUPAC Name: 2-cyclohexyl-4-methyl-6-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-cyclohexyl-4-methyl-6-(phenethylthio)pyrimidine-5-carboxylate Formula: C20H23N2O2S- MolecularWeight: 355.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCCC2)SCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCCC2)SCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H24N2O2S/c1-14-17(20(23)24)19(25-13-12-15-8-4-2-5-9-15)22-18(21-14)16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3,(H,23,24)/p-1