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3-(6-sulfanylidene-3,7-dihydropurin-9-ium-9-yl)propanoic acid

3-(6-sulfanylidene-3,7-dihydropurin-9-ium-9-yl)propanoic acid

Systemtic Name:3-(6-sulfanylidene-3,7-dihydropurin-9-ium-9-yl)propanoic acid
Openeye Name:3-(6-thioxo-3,7-dihydropurin-9-ium-9-yl)propanoic acid
CAS Name:3-(6-sulfanylidene-3,7-dihydropurin-9-ium-9-yl)propanoic acid
IUPAC Name:3-(6-sulfanylidene-3,7-dihydropurin-9-ium-9-yl)propanoic acid
Traditional Name:3-(6-thioxo-3,7-dihydropurin-9-ium-9-yl)propionic acid
Formula: C8H9N4O2S+
MolecularWeight: 225.24766
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)[N+](=CN2)CCC(=O)O


Isomeric SMILES

C1=NC(=S)C2=C(N1)[N+](=CN2)CCC(=O)O


InChI

InChI=1S/C8H8N4O2S/c13-5(14)1-2-12-4-11-6-7(12)9-3-10-8(6)15/h3-4H,1-2H2,(H2,9,10,13,14,15)/p+1


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