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

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

Systemtic Name:2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]sulfanylethanenitrile
Openeye Name:2-(1,3-dimethyl-2,6-dioxo-purin-3-ium-8-yl)sulfanylacetonitrile
CAS Name:2-[(1,3-dimethyl-2,6-dioxo-8-purin-3-iumyl)thio]acetonitrile
IUPAC Name:2-(1,3-dimethyl-2,6-dioxopurin-3-ium-8-yl)sulfanylacetonitrile
Traditional Name:2-[(2,6-diketo-1,3-dimethyl-purin-3-ium-8-yl)thio]acetonitrile
Formula: C9H8N5O2S+
MolecularWeight: 250.25712
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C9H8N5O2S/c1-13-6-5(7(15)14(2)9(13)16)11-8(12-6)17-4-3-10/h4H2,1-2H3/q+1


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