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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[2-(3-methyl-2,6-dioxo-purin-7-yl)ethyl]ammonium CAS Name: 2-(3-methyl-2,6-dioxo-7-purinyl)ethyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[2-(3-methyl-2,6-dioxopurin-7-yl)ethyl]azanium Traditional Name: dibenzyl-[2-(2,6-diketo-3-methyl-purin-7-yl)ethyl]ammonium Formula: C22H24N5O2+ MolecularWeight: 390.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c1-25-20-19(21(28)24-22(25)29)27(16-23-20)13-12-26(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,24,28,29)/p+1