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

Systemtic Name: 1-butyl-4,6-bis(oxidanylidene)-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]pyrimidin-2-olate Openeye Name: 1-butyl-4,6-dioxo-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]pyrimidin-2-olate CAS Name: 1-butyl-4,6-dioxo-5-[1-[2-(1-piperidin-1-iumyl)ethylamino]ethylidene]-2-pyrimidinolate IUPAC Name: 1-butyl-4,6-dioxo-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]pyrimidin-2-olate Traditional Name: 1-butyl-4,6-diketo-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]pyrimidin-2-olate Formula: C17H28N4O3 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O3/c1-3-4-11-21-16(23)14(15(22)19-17(21)24)13(2)18-8-12-20-9-6-5-7-10-20/h18H,3-12H2,1-2H3,(H,19,22,24)