6-azanyl-2-sulfanylidene-1H-pyrimidin-4-one hydrate

Systemtic Name: 6-azanyl-2-sulfanylidene-1H-pyrimidin-4-one hydrate Openeye Name: 6-amino-2-thioxo-1H-pyrimidin-4-one hydrate CAS Name: 6-amino-2-sulfanylidene-1H-pyrimidin-4-one hydrate IUPAC Name: 6-amino-2-sulfanylidene-1H-pyrimidin-4-one hydrate Traditional Name: 6-amino-2-thioxo-1H-pyrimidin-4-one hydrate Formula: C4H7N3O2S MolecularWeight: 161.18228

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=S)NC1=O)N.O

Isomeric SMILES

C1=C(NC(=S)NC1=O)N.O

InChI

InChI=1S/C4H5N3OS.H2O/c5-2-1-3(8)7-4(9)6-2;/h1H,(H4,5,6,7,8,9);1H2