5-[[3-[(diethylazaniumyl)methyl]-4-ethoxy-phenyl]methyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-6-olate

Systemtic Name: 5-[[3-[(diethylazaniumyl)methyl]-4-ethoxy-phenyl]methyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-6-olate Openeye Name: 5-[[3-[(diethylammonio)methyl]-4-ethoxy-phenyl]methyl]-2,4-dioxo-1H-pyrimidin-6-olate CAS Name: 5-[[3-[(diethylammonio)methyl]-4-ethoxyphenyl]methyl]-2,4-dioxo-1H-pyrimidin-6-olate IUPAC Name: 5-[[3-[(diethylazaniumyl)methyl]-4-ethoxyphenyl]methyl]-2,4-dioxo-1H-pyrimidin-6-olate Traditional Name: 5-[3-[(diethylammonio)methyl]-4-ethoxy-benzyl]-2,4-diketo-1H-pyrimidin-6-olate Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC(=C1)CC2=C(NC(=O)NC2=O)[O-])OCC

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC(=C1)CC2=C(NC(=O)NC2=O)[O-])OCC

InChI

InChI=1S/C18H25N3O4/c1-4-21(5-2)11-13-9-12(7-8-15(13)25-6-3)10-14-16(22)19-18(24)20-17(14)23/h7-9H,4-6,10-11H2,1-3H3,(H3,19,20,22,23,24)