2-(pyrimidin-2-ylsulfanylmethyl)furan-3-carboxylic acid

Systemtic Name: 2-(pyrimidin-2-ylsulfanylmethyl)furan-3-carboxylic acid Openeye Name: 2-(pyrimidin-2-ylsulfanylmethyl)furan-3-carboxylic acid CAS Name: 2-[(2-pyrimidinylthio)methyl]-3-furancarboxylic acid IUPAC Name: 2-(pyrimidin-2-ylsulfanylmethyl)furan-3-carboxylic acid Traditional Name: 2-[(2-pyrimidylthio)methyl]-3-furoic acid Formula: C10H8N2O3S MolecularWeight: 236.24712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=C(C=CO2)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)SCC2=C(C=CO2)C(=O)O

InChI

InChI=1S/C10H8N2O3S/c13-9(14)7-2-5-15-8(7)6-16-10-11-3-1-4-12-10/h1-5H,6H2,(H,13,14)