1-butyl-4,6-bis(oxidanylidene)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]pyrimidin-2-olate

Systemtic Name: 1-butyl-4,6-bis(oxidanylidene)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]pyrimidin-2-olate Openeye Name: 1-butyl-4,6-dioxo-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]pyrimidin-2-olate CAS Name: 1-butyl-4,6-dioxo-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-2-pyrimidinolate IUPAC Name: 1-butyl-4,6-dioxo-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]pyrimidin-2-olate Traditional Name: 1-butyl-4,6-diketo-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]pyrimidin-2-olate Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)N=C1[O-]

Isomeric SMILES

CCCCN1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)N=C1[O-]

InChI

InChI=1S/C16H26N4O3/c1-2-3-10-20-15(22)13(14(21)18-16(20)23)12-17-7-11-19-8-5-4-6-9-19/h12,17H,2-11H2,1H3,(H,18,21,23)