[7-(2-ethoxy-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-bis(phenylmethyl)azanium

Systemtic Name: [7-(2-ethoxy-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[[7-(2-ethoxy-2-oxo-ethyl)-3-methyl-2,6-dioxo-purin-8-yl]methyl]ammonium CAS Name: [7-(2-ethoxy-2-oxoethyl)-3-methyl-2,6-dioxo-8-purinyl]methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[[7-(2-ethoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-8-yl]methyl]azanium Traditional Name: dibenzyl-[[7-(2-ethoxy-2-keto-ethyl)-2,6-diketo-3-methyl-purin-8-yl]methyl]ammonium Formula: C25H28N5O4+ MolecularWeight: 462.52092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O4/c1-3-34-21(31)17-30-20(26-23-22(30)24(32)27-25(33)28(23)2)16-29(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13H,3,14-17H2,1-2H3,(H,27,32,33)/p+1