4-methyl-6-phenethylsulfanyl-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-phenethylsulfanyl-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-methyl-6-phenethylsulfanyl-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-(phenethylthio)-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-phenethylsulfanyl-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-methyl-6-(phenethylthio)-2-phenyl-pyrimidine-5-carboxylic acid Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18N2O2S/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/h2-11H,12-13H2,1H3,(H,23,24)