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3,7-dihydropurine-2,6-dione thiocyanate

3,7-dihydropurine-2,6-dione thiocyanate

Systemtic Name:3,7-dihydropurine-2,6-dione thiocyanate
Openeye Name:3,7-dihydropurine-2,6-dione thiocyanate
CAS Name:3,7-dihydropurine-2,6-dione thiocyanate
IUPAC Name:3,7-dihydropurine-2,6-dione thiocyanate
Traditional Name:xanthine thiocyanate
Formula: C6H4N5O2S-
MolecularWeight: 210.19326
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)NC(=O)N2.C(#N)[S-]


Isomeric SMILES

C1=NC2=C(N1)C(=O)NC(=O)N2.C(#N)[S-]


InChI

InChI=1S/C5H4N4O2.CHNS/c10-4-2-3(7-1-6-2)8-5(11)9-4;2-1-3/h1H,(H3,6,7,8,9,10,11);3H/p-1


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