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5-(6-sulfanylidene-3,7-dihydropurin-9-ium-9-yl)pentanoic acid

5-(6-sulfanylidene-3,7-dihydropurin-9-ium-9-yl)pentanoic acid

Systemtic Name:5-(6-sulfanylidene-3,7-dihydropurin-9-ium-9-yl)pentanoic acid
Openeye Name:5-(6-thioxo-3,7-dihydropurin-9-ium-9-yl)pentanoic acid
CAS Name:5-(6-sulfanylidene-3,7-dihydropurin-9-ium-9-yl)pentanoic acid
IUPAC Name:5-(6-sulfanylidene-3,7-dihydropurin-9-ium-9-yl)pentanoic acid
Traditional Name:5-(6-thioxo-3,7-dihydropurin-9-ium-9-yl)valeric acid
Formula: C10H13N4O2S+
MolecularWeight: 253.30082
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C10H12N4O2S/c15-7(16)3-1-2-4-14-6-13-8-9(14)11-5-12-10(8)17/h5-6H,1-4H2,(H2,11,12,15,16,17)/p+1


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