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

Systemtic Name: 4-methyl-2-phenyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 4-methyl-2-phenyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 4-methyl-2-phenyl-6-(3-phenylpropylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-2-phenyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 4-methyl-2-phenyl-6-(3-phenylpropylthio)pyrimidine-5-carboxylic acid Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N2O2S/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/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,24,25)