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

Systemtic Name: (5E)-1-[2-(cyclohexen-1-yl)ethyl]-6-oxidanylidene-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-[2-(cyclohexen-1-yl)ethyl]-6-oxo-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-[2-(1-cyclohexenyl)ethyl]-6-oxo-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-[2-(cyclohexen-1-yl)ethyl]-6-oxo-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-[2-(cyclohexen-1-yl)ethyl]-6-keto-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC=C2C(=NC(=S)N(C2=O)CCC3=CCCCC3)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN/C=C/2\C(=NC(=S)N(C2=O)CCC3=CCCCC3)[O-]

InChI

InChI=1S/C20H30N4O2S/c25-18-17(15-21-10-14-23-11-5-2-6-12-23)19(26)24(20(27)22-18)13-9-16-7-3-1-4-8-16/h7,15,21H,1-6,8-14H2,(H,22,25,27)/b17-15+