(E)-3-(7H-purin-6-ylsulfanyl)prop-2-enoic acid

Systemtic Name: (E)-3-(7H-purin-6-ylsulfanyl)prop-2-enoic acid Openeye Name: (E)-3-(7H-purin-6-ylsulfanyl)prop-2-enoic acid CAS Name: (E)-3-(7H-purin-6-ylthio)-2-propenoic acid IUPAC Name: (E)-3-(7H-purin-6-ylsulfanyl)prop-2-enoic acid Traditional Name: (E)-3-(7H-purin-6-ylthio)acrylic acid Formula: C8H6N4O2S MolecularWeight: 222.22384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SC=CC(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)S/C=C/C(=O)O

InChI

InChI=1S/C8H6N4O2S/c13-5(14)1-2-15-8-6-7(10-3-9-6)11-4-12-8/h1-4H,(H,13,14)(H,9,10,11,12)/b2-1+