2-cyclohexyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: 2-cyclohexyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate Openeye Name: 2-cyclohexyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate CAS Name: 2-cyclohexyl-4-methyl-6-(3-phenylpropylthio)-5-pyrimidinecarboxylate IUPAC Name: 2-cyclohexyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 2-cyclohexyl-4-methyl-6-(3-phenylpropylthio)pyrimidine-5-carboxylate Formula: C21H25N2O2S- MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCCC2)SCCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCCC2)SCCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H26N2O2S/c1-15-18(21(24)25)20(23-19(22-15)17-12-6-3-7-13-17)26-14-8-11-16-9-4-2-5-10-16/h2,4-5,9-10,17H,3,6-8,11-14H2,1H3,(H,24,25)/p-1