8-sulfanylidene-7,9-dihydro-3H-purin-6-one hydrate

Systemtic Name: 8-sulfanylidene-7,9-dihydro-3H-purin-6-one hydrate Openeye Name: 8-thioxo-7,9-dihydro-3H-purin-6-one hydrate CAS Name: 8-sulfanylidene-7,9-dihydro-3H-purin-6-one hydrate IUPAC Name: 8-sulfanylidene-7,9-dihydro-3H-purin-6-one hydrate Traditional Name: 8-thioxo-7,9-dihydro-3H-purin-6-one hydrate Formula: C5H6N4O2S MolecularWeight: 186.19174

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)NC(=S)N2.O

Isomeric SMILES

C1=NC(=O)C2=C(N1)NC(=S)N2.O

InChI

InChI=1S/C5H4N4OS.H2O/c10-4-2-3(6-1-7-4)9-5(11)8-2;/h1H,(H3,6,7,8,9,10,11);1H2