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

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(morpholin-4-ium-4-ylamino)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(morpholin-4-ium-4-ylamino)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-5-[(4-morpholin-4-iumylamino)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(morpholin-4-ium-4-ylamino)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-keto-5-[(morpholin-4-ium-4-ylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S/c22-15-14(12-18-20-8-10-24-11-9-20)16(23)21(17(25)19-15)7-6-13-4-2-1-3-5-13/h4,12,18H,1-3,5-11H2,(H,19,22,25)