1-butyl-5-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]-4,6-bis(oxidanylidene)pyrimidin-2-olate

Systemtic Name: 1-butyl-5-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]-4,6-bis(oxidanylidene)pyrimidin-2-olate Openeye Name: 1-butyl-5-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]-4,6-dioxo-pyrimidin-2-olate CAS Name: 1-butyl-5-[1-[3-(4-morpholin-4-iumyl)propylamino]ethylidene]-4,6-dioxo-2-pyrimidinolate IUPAC Name: 1-butyl-5-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]-4,6-dioxopyrimidin-2-olate Traditional Name: 1-butyl-4,6-diketo-5-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]pyrimidin-2-olate Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(C)NCCC[NH+]2CCOCC2)C(=O)N=C1[O-]

Isomeric SMILES

CCCCN1C(=O)C(=C(C)NCCC[NH+]2CCOCC2)C(=O)N=C1[O-]

InChI

InChI=1S/C17H28N4O4/c1-3-4-8-21-16(23)14(15(22)19-17(21)24)13(2)18-6-5-7-20-9-11-25-12-10-20/h18H,3-12H2,1-2H3,(H,19,22,24)