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

Systemtic Name: [7-(2-methoxy-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[[7-(2-methoxy-2-oxo-ethyl)-3-methyl-2,6-dioxo-purin-8-yl]methyl]ammonium CAS Name: [7-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxo-8-purinyl]methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[[7-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-8-yl]methyl]azanium Traditional Name: dibenzyl-[[2,6-diketo-7-(2-keto-2-methoxy-ethyl)-3-methyl-purin-8-yl]methyl]ammonium Formula: C24H26N5O4+ MolecularWeight: 448.49434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)CC(=O)OC

InChI

InChI=1S/C24H25N5O4/c1-27-22-21(23(31)26-24(27)32)29(16-20(30)33-2)19(25-22)15-28(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,26,31,32)/p+1