(5E)-5-[1-(azepan-1-ium-1-ylamino)ethylidene]-4,6-bis(oxidanylidene)-1-prop-2-enyl-pyrimidin-2-olate

Systemtic Name: (5E)-5-[1-(azepan-1-ium-1-ylamino)ethylidene]-4,6-bis(oxidanylidene)-1-prop-2-enyl-pyrimidin-2-olate Openeye Name: (5E)-1-allyl-5-[1-(azepan-1-ium-1-ylamino)ethylidene]-4,6-dioxo-pyrimidin-2-olate CAS Name: (5E)-5-[1-(1-azepan-1-iumylamino)ethylidene]-4,6-dioxo-1-prop-2-enyl-2-pyrimidinolate IUPAC Name: (5E)-5-[1-(azepan-1-ium-1-ylamino)ethylidene]-4,6-dioxo-1-prop-2-enylpyrimidin-2-olate Traditional Name: (5E)-1-allyl-5-[1-(azepan-1-ium-1-ylamino)ethylidene]-4,6-diketo-pyrimidin-2-olate Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)N=C(N(C1=O)CC=C)[O-])N[NH+]2CCCCCC2

Isomeric SMILES

C/C(=C\1/C(=O)N=C(N(C1=O)CC=C)[O-])/N[NH+]2CCCCCC2

InChI

InChI=1S/C15H22N4O3/c1-3-8-19-14(21)12(13(20)16-15(19)22)11(2)17-18-9-6-4-5-7-10-18/h3,17H,1,4-10H2,2H3,(H,16,20,22)/b12-11+