5-[2,6-dimethyl-1-(2-morpholin-4-ylethyl)-1H-pyridin-1-ium-4-ylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[2,6-dimethyl-1-(2-morpholin-4-ylethyl)-1H-pyridin-1-ium-4-ylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[2,6-dimethyl-1-(2-morpholinoethyl)-1H-pyridin-1-ium-4-ylidene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[2,6-dimethyl-1-[2-(4-morpholinyl)ethyl]-1H-pyridin-1-ium-4-ylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[2,6-dimethyl-1-(2-morpholin-4-ylethyl)-1H-pyridin-1-ium-4-ylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[2,6-dimethyl-1-(2-morpholinoethyl)-1H-pyridin-1-ium-4-ylidene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=O)NC(=S)N=C2[O-])C=C([NH+]1CCN3CCOCC3)C

Isomeric SMILES

CC1=CC(=C2C(=O)NC(=S)N=C2[O-])C=C([NH+]1CCN3CCOCC3)C

InChI

InChI=1S/C17H22N4O3S/c1-11-9-13(14-15(22)18-17(25)19-16(14)23)10-12(2)21(11)4-3-20-5-7-24-8-6-20/h9-10H,3-8H2,1-2H3,(H2,18,19,22,23,25)