(5E)-5-[(azepan-1-ium-1-ylamino)methylidene]-4,6-bis(oxidanylidene)-1-phenethyl-pyrimidin-2-olate

Systemtic Name: (5E)-5-[(azepan-1-ium-1-ylamino)methylidene]-4,6-bis(oxidanylidene)-1-phenethyl-pyrimidin-2-olate Openeye Name: (5E)-5-[(azepan-1-ium-1-ylamino)methylene]-4,6-dioxo-1-phenethyl-pyrimidin-2-olate CAS Name: (5E)-5-[(1-azepan-1-iumylamino)methylidene]-4,6-dioxo-1-phenethyl-2-pyrimidinolate IUPAC Name: (5E)-5-[(azepan-1-ium-1-ylamino)methylidene]-4,6-dioxo-1-phenethylpyrimidin-2-olate Traditional Name: (5E)-5-[(azepan-1-ium-1-ylamino)methylene]-4,6-diketo-1-phenethyl-pyrimidin-2-olate Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)NC=C2C(=O)N=C(N(C2=O)CCC3=CC=CC=C3)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)N/C=C/2\C(=O)N=C(N(C2=O)CCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H24N4O3/c24-17-16(14-20-22-11-6-1-2-7-12-22)18(25)23(19(26)21-17)13-10-15-8-4-3-5-9-15/h3-5,8-9,14,20H,1-2,6-7,10-13H2,(H,21,24,26)/b16-14+