8-[2-(diphenylmethyl)oxyethyl-dimethyl-azaniumyl]-1,3-dimethyl-2-oxidanylidene-purin-6-olate

Systemtic Name: 8-[2-(diphenylmethyl)oxyethyl-dimethyl-azaniumyl]-1,3-dimethyl-2-oxidanylidene-purin-6-olate Openeye Name: 8-[2-benzhydryloxyethyl(dimethyl)ammonio]-1,3-dimethyl-2-oxo-purin-6-olate CAS Name: 8-[2-(diphenylmethyl)oxyethyl-dimethylammonio]-1,3-dimethyl-2-oxo-6-purinolate IUPAC Name: 8-[2-benzhydryloxyethyl(dimethyl)azaniumyl]-1,3-dimethyl-2-oxopurin-6-olate Traditional Name: 8-[2-benzhydryloxyethyl(dimethyl)ammonio]-2-keto-1,3-dimethyl-purin-6-olate Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=N2)[N+](C)(C)CCOC(C3=CC=CC=C3)C4=CC=CC=C4)N(C1=O)C)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=N2)[N+](C)(C)CCOC(C3=CC=CC=C3)C4=CC=CC=C4)N(C1=O)C)[O-]

InChI

InChI=1S/C24H27N5O3/c1-27-21-19(22(30)28(2)24(27)31)25-23(26-21)29(3,4)15-16-32-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,20H,15-16H2,1-4H3