4-methyl-6-(3-methylbutylsulfanyl)-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-(3-methylbutylsulfanyl)-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-isopentylsulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-(3-methylbutylthio)-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-(3-methylbutylsulfanyl)-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-(isoamylthio)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCC(C)C)C(=O)O

InChI

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