4-oxidanylidene-5-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-1H-pyrimidin-6-olate

Systemtic Name: 4-oxidanylidene-5-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-1H-pyrimidin-6-olate Openeye Name: 4-oxo-5-(piperidin-1-ium-1-ylmethyl)-2-thioxo-1H-pyrimidin-6-olate CAS Name: 4-oxo-5-(1-piperidin-1-iumylmethyl)-2-sulfanylidene-1H-pyrimidin-6-olate IUPAC Name: 4-oxo-5-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-1H-pyrimidin-6-olate Traditional Name: 4-keto-5-(piperidin-1-ium-1-ylmethyl)-2-thioxo-1H-pyrimidin-6-olate Formula: C10H15N3O2S MolecularWeight: 241.31

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(NC(=S)NC2=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(NC(=S)NC2=O)[O-]

InChI

InChI=1S/C10H15N3O2S/c14-8-7(9(15)12-10(16)11-8)6-13-4-2-1-3-5-13/h1-6H2,(H3,11,12,14,15,16)