1-[2-(cyclohexen-1-yl)ethyl]-6-oxidanylidene-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-oxidanylidene-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-oxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-6-oxo-5-[[3-(1-piperidin-1-iumyl)propylamino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-oxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-keto-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c26-19-18(16-22-11-7-14-24-12-5-2-6-13-24)20(27)25(21(28)23-19)15-10-17-8-3-1-4-9-17/h8,16,22H,1-7,9-15H2,(H,23,26,28)