2-[(2-azanyl-7H-purin-6-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(2-azanyl-7H-purin-6-yl)sulfanyl]ethanoate Openeye Name: 2-[(2-amino-7H-purin-6-yl)sulfanyl]acetate CAS Name: 2-[(2-amino-7H-purin-6-yl)thio]acetate IUPAC Name: 2-[(2-amino-7H-purin-6-yl)sulfanyl]acetate Traditional Name: 2-[(2-amino-7H-purin-6-yl)thio]acetate Formula: C7H6N5O2S- MolecularWeight: 224.21984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC(=N2)N)SCC(=O)[O-]

Isomeric SMILES

C1=NC2=C(N1)C(=NC(=N2)N)SCC(=O)[O-]

InChI

InChI=1S/C7H7N5O2S/c8-7-11-5-4(9-2-10-5)6(12-7)15-1-3(13)14/h2H,1H2,(H,13,14)(H3,8,9,10,11,12)/p-1