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

Systemtic Name: 1-butyl-6-oxidanylidene-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 1-butyl-6-oxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: 1-butyl-6-oxo-5-[[3-(1-piperidin-1-iumyl)propylamino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 1-butyl-6-oxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: 1-butyl-6-keto-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C17H28N4O2S MolecularWeight: 352.49482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNCCC[NH+]2CCCCC2)C(=NC1=S)[O-]

Isomeric SMILES

CCCCN1C(=O)C(=CNCCC[NH+]2CCCCC2)C(=NC1=S)[O-]

InChI

InChI=1S/C17H28N4O2S/c1-2-3-12-21-16(23)14(15(22)19-17(21)24)13-18-8-7-11-20-9-5-4-6-10-20/h13,18H,2-12H2,1H3,(H,19,22,24)