2-ethyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-(3-phenylpropylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-methyl-6-(3-phenylpropylthio)pyrimidine-5-carboxylic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCCCC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCCCC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C17H20N2O2S/c1-3-14-18-12(2)15(17(20)21)16(19-14)22-11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,20,21)