4-methyl-6-(phenylmethylsulfanyl)-2-thiophen-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-(phenylmethylsulfanyl)-2-thiophen-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-benzylsulfanyl-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-(phenylmethylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-benzylsulfanyl-6-methyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(benzylthio)-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylic acid Formula: C17H14N2O2S2 MolecularWeight: 342.43526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H14N2O2S2/c1-11-14(17(20)21)16(23-10-12-6-3-2-4-7-12)19-15(18-11)13-8-5-9-22-13/h2-9H,10H2,1H3,(H,20,21)