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

Systemtic Name: 5-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-olate Openeye Name: 5-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-thioxo-1H-pyrimidin-6-olate CAS Name: 5-(4-morpholin-4-iumylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate IUPAC Name: 5-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate Traditional Name: 4-keto-5-(morpholin-4-ium-4-ylmethyl)-2-thioxo-1H-pyrimidin-6-olate Formula: C9H13N3O3S MolecularWeight: 243.28282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(NC(=S)NC2=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=C(NC(=S)NC2=O)[O-]

InChI

InChI=1S/C9H13N3O3S/c13-7-6(8(14)11-9(16)10-7)5-12-1-3-15-4-2-12/h1-5H2,(H3,10,11,13,14,16)