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2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]sulfanylethanoic acid

2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]sulfanylethanoic acid

Systemtic Name:2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]sulfanylethanoic acid
Openeye Name:2-(1,3-dimethyl-2,6-dioxo-purin-3-ium-8-yl)sulfanylacetic acid
CAS Name:2-[(1,3-dimethyl-2,6-dioxo-8-purin-3-iumyl)thio]acetic acid
IUPAC Name:2-(1,3-dimethyl-2,6-dioxopurin-3-ium-8-yl)sulfanylacetic acid
Traditional Name:2-[(2,6-diketo-1,3-dimethyl-purin-3-ium-8-yl)thio]acetic acid
Formula: C9H9N4O4S+
MolecularWeight: 269.25716
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)SCC(=O)O


Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)SCC(=O)O


InChI

InChI=1S/C9H8N4O4S/c1-12-6-5(7(16)13(2)9(12)17)10-8(11-6)18-3-4(14)15/h3H2,1-2H3/p+1


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