4-methyl-6-phenethylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-phenethylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-methyl-6-phenethylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-(phenethylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-phenethylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-methyl-6-(phenethylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid Formula: C18H16N2O2S2 MolecularWeight: 356.46184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H16N2O2S2/c1-12-15(18(21)22)17(20-16(19-12)14-8-5-10-23-14)24-11-9-13-6-3-2-4-7-13/h2-8,10H,9,11H2,1H3,(H,21,22)