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

Systemtic Name: [7-(2-ethoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-purin-8-yl]methyl]ammonium CAS Name: [7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-8-purinyl]methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]methyl]azanium Traditional Name: dibenzyl-[[7-(2-ethoxyethyl)-2,6-diketo-3-methyl-purin-8-yl]methyl]ammonium Formula: C25H30N5O3+ MolecularWeight: 448.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O3/c1-3-33-15-14-30-21(26-23-22(30)24(31)27-25(32)28(23)2)18-29(16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h4-13H,3,14-18H2,1-2H3,(H,27,31,32)/p+1