1-[2-(cyclohexen-1-yl)ethyl]-5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(2-morpholin-4-ium-4-ylethylamino)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-5-[[2-(4-morpholin-4-iumyl)ethylamino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-keto-5-[(2-morpholin-4-ium-4-ylethylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C(=CNCC[NH+]3CCOCC3)C(=NC2=S)[O-]

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C(=CNCC[NH+]3CCOCC3)C(=NC2=S)[O-]

InChI

InChI=1S/C19H28N4O3S/c24-17-16(14-20-7-9-22-10-12-26-13-11-22)18(25)23(19(27)21-17)8-6-15-4-2-1-3-5-15/h4,14,20H,1-3,5-13H2,(H,21,24,27)