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

Systemtic Name: 5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 5-[(2-pyrimidinylthio)methyl]-2-furancarboxylic acid IUPAC Name: 5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 5-[(2-pyrimidylthio)methyl]-2-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=CC=C(O2)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)SCC2=CC=C(O2)C(=O)O

InChI

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