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2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoate

2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoate

Systemtic Name:2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoate
Openeye Name:2-[(6-amino-7H-purin-8-yl)sulfanyl]acetate
CAS Name:2-[(6-amino-7H-purin-8-yl)thio]acetate
IUPAC Name:2-[(6-amino-7H-purin-8-yl)sulfanyl]acetate
Traditional Name:2-[(6-amino-7H-purin-8-yl)thio]acetate
Formula: C7H6N5O2S-
MolecularWeight: 224.21984
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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