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

Systemtic Name: 4-(phenylmethylsulfanyl)-2-thiophen-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-benzylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxylic acid CAS Name: 4-(phenylmethylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-benzylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(benzylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid Formula: C16H12N2O2S2 MolecularWeight: 328.40868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC=C2C(=O)O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC=C2C(=O)O)C3=CC=CS3

InChI

InChI=1S/C16H12N2O2S2/c19-16(20)12-9-17-14(13-7-4-8-21-13)18-15(12)22-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)