5-[2-(dimethylazaniumyl)ethyl]-2,6-bis(oxidanylidene)-1,3-diphenyl-pyrimidin-4-olate

Systemtic Name: 5-[2-(dimethylazaniumyl)ethyl]-2,6-bis(oxidanylidene)-1,3-diphenyl-pyrimidin-4-olate Openeye Name: 5-[2-(dimethylammonio)ethyl]-2,6-dioxo-1,3-diphenyl-pyrimidin-4-olate CAS Name: 5-[2-(dimethylammonio)ethyl]-2,6-dioxo-1,3-diphenyl-4-pyrimidinolate IUPAC Name: 5-[2-(dimethylazaniumyl)ethyl]-2,6-dioxo-1,3-diphenylpyrimidin-4-olate Traditional Name: 5-[2-(dimethylammonio)ethyl]-2,6-diketo-1,3-diphenyl-pyrimidin-4-olate Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1=C(N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

C[NH+](C)CCC1=C(N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H21N3O3/c1-21(2)14-13-17-18(24)22(15-9-5-3-6-10-15)20(26)23(19(17)25)16-11-7-4-8-12-16/h3-12,24H,13-14H2,1-2H3