4-(7H-purin-6-ylsulfanyl)benzoate

Systemtic Name: 4-(7H-purin-6-ylsulfanyl)benzoate Openeye Name: 4-(7H-purin-6-ylsulfanyl)benzoate CAS Name: 4-(7H-purin-6-ylthio)benzoate IUPAC Name: 4-(7H-purin-6-ylsulfanyl)benzoate Traditional Name: 4-(7H-purin-6-ylthio)benzoate Formula: C12H7N4O2S- MolecularWeight: 271.27458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H8N4O2S/c17-12(18)7-1-3-8(4-2-7)19-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H,17,18)(H,13,14,15,16)/p-1