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2-sulfanylidenepurin-6-one hydrate

2-sulfanylidenepurin-6-one hydrate

Systemtic Name:2-sulfanylidenepurin-6-one hydrate
Openeye Name:2-thioxopurin-6-one hydrate
CAS Name:2-sulfanylidene-6-purinone hydrate
IUPAC Name:2-sulfanylidenepurin-6-one hydrate
Traditional Name:2-thioxopurin-6-one hydrate
Formula: C5H4N4O2S
MolecularWeight: 184.17586
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=NC(=S)NC(=O)C2=N1.O


Isomeric SMILES

C1=NC2=NC(=S)NC(=O)C2=N1.O


InChI

InChI=1S/C5H2N4OS.H2O/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H,9,10,11);1H2


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