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4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde hydrate

4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde hydrate

Systemtic Name:4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde hydrate
Openeye Name:4-oxo-2-thioxo-1H-pyrimidine-6-carbaldehyde hydrate
CAS Name:4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde hydrate
IUPAC Name:4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde hydrate
Traditional Name:4-keto-2-thioxo-1H-pyrimidine-6-carbaldehyde hydrate
Formula: C5H6N2O3S
MolecularWeight: 174.17774
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C5H4N2O2S.H2O/c8-2-3-1-4(9)7-5(10)6-3;/h1-2H,(H2,6,7,9,10);1H2


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