5-[(diethylazaniumyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-olate

Systemtic Name: 5-[(diethylazaniumyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-olate Openeye Name: 5-[(diethylammonio)methyl]-4-oxo-2-thioxo-1H-pyrimidin-6-olate CAS Name: 5-[(diethylammonio)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate IUPAC Name: 5-[(diethylazaniumyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate Traditional Name: 5-[(diethylammonio)methyl]-4-keto-2-thioxo-1H-pyrimidin-6-olate Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(NC(=S)NC1=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(NC(=S)NC1=O)[O-]

InChI

InChI=1S/C9H15N3O2S/c1-3-12(4-2)5-6-7(13)10-9(15)11-8(6)14/h3-5H2,1-2H3,(H3,10,11,13,14,15)