3-[(E)-(6-azanyl-5H-purin-8-yl)diazenyl]sulfanylpropanoic acid

Systemtic Name: 3-[(E)-(6-azanyl-5H-purin-8-yl)diazenyl]sulfanylpropanoic acid Openeye Name: 3-[(E)-(6-amino-5H-purin-8-yl)azo]sulfanylpropanoic acid CAS Name: 3-[[(E)-(6-amino-5H-purin-8-yl)azo]thio]propanoic acid IUPAC Name: 3-[(E)-(6-amino-5H-purin-8-yl)diazenyl]sulfanylpropanoic acid Traditional Name: 3-[[(E)-(6-amino-5H-purin-8-yl)azo]thio]propionic acid Formula: C8H9N7O2S MolecularWeight: 267.26776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=NC(=NC2C(=N1)N)N=NSCCC(=O)O

Isomeric SMILES

C1=NC2=NC(=NC2C(=N1)N)/N=N/SCCC(=O)O

InChI

InChI=1S/C8H9N7O2S/c9-6-5-7(11-3-10-6)13-8(12-5)14-15-18-2-1-4(16)17/h3,5H,1-2H2,(H,16,17)(H2,9,10,11,12,13)/b15-14+