5-[1-[3-(dimethylazaniumyl)propylamino]ethylidene]-4,6-bis(oxidanylidene)-1-phenyl-pyrimidin-2-olate

Systemtic Name: 5-[1-[3-(dimethylazaniumyl)propylamino]ethylidene]-4,6-bis(oxidanylidene)-1-phenyl-pyrimidin-2-olate Openeye Name: 5-[1-[3-(dimethylammonio)propylamino]ethylidene]-4,6-dioxo-1-phenyl-pyrimidin-2-olate CAS Name: 5-[1-[3-(dimethylammonio)propylamino]ethylidene]-4,6-dioxo-1-phenyl-2-pyrimidinolate IUPAC Name: 5-[1-[3-(dimethylazaniumyl)propylamino]ethylidene]-4,6-dioxo-1-phenylpyrimidin-2-olate Traditional Name: 5-[1-[3-(dimethylammonio)propylamino]ethylidene]-4,6-diketo-1-phenyl-pyrimidin-2-olate Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)N=C(N(C1=O)C2=CC=CC=C2)[O-])NCCC[NH+](C)C

Isomeric SMILES

CC(=C1C(=O)N=C(N(C1=O)C2=CC=CC=C2)[O-])NCCC[NH+](C)C

InChI

InChI=1S/C17H22N4O3/c1-12(18-10-7-11-20(2)3)14-15(22)19-17(24)21(16(14)23)13-8-5-4-6-9-13/h4-6,8-9,18H,7,10-11H2,1-3H3,(H,19,22,24)