3-[(6-azanyl-7H-purin-8-yl)sulfanyl]propanoate

Systemtic Name: 3-[(6-azanyl-7H-purin-8-yl)sulfanyl]propanoate Openeye Name: 3-[(6-amino-7H-purin-8-yl)sulfanyl]propanoate CAS Name: 3-[(6-amino-7H-purin-8-yl)thio]propanoate IUPAC Name: 3-[(6-amino-7H-purin-8-yl)sulfanyl]propanoate Traditional Name: 3-[(6-amino-7H-purin-8-yl)thio]propionate Formula: C8H8N5O2S- MolecularWeight: 238.24642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N5O2S/c9-6-5-7(11-3-10-6)13-8(12-5)16-2-1-4(14)15/h3H,1-2H2,(H,14,15)(H3,9,10,11,12,13)/p-1