2-(7H-purin-6-ylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 2-(7H-purin-6-ylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-(7H-purin-6-ylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(7H-purin-6-ylthio)-3-pyridinecarboxylate IUPAC Name: 2-(7H-purin-6-ylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(7H-purin-6-ylthio)nicotinate Formula: C11H6N5O2S- MolecularWeight: 272.26264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7N5O2S/c17-11(18)6-2-1-3-12-9(6)19-10-7-8(14-4-13-7)15-5-16-10/h1-5H,(H,17,18)(H,13,14,15,16)/p-1