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

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

Systemtic Name:3-[(6-azanyl-7H-purin-8-yl)sulfanyl]propanoic acid
Openeye Name:3-[(6-amino-7H-purin-8-yl)sulfanyl]propanoic acid
CAS Name:3-[(6-amino-7H-purin-8-yl)thio]propanoic acid
IUPAC Name:3-[(6-amino-7H-purin-8-yl)sulfanyl]propanoic acid
Traditional Name:3-[(6-amino-7H-purin-8-yl)thio]propionic acid
Formula: C8H9N5O2S
MolecularWeight: 239.25436
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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)


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