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

Systemtic Name: [7-(2-azanyl-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: [7-(2-amino-2-oxo-ethyl)-3-methyl-2,6-dioxo-purin-8-yl]methyl-dibenzyl-ammonium CAS Name: [7-(2-amino-2-oxoethyl)-3-methyl-2,6-dioxo-8-purinyl]methyl-bis(phenylmethyl)ammonium IUPAC Name: [7-(2-amino-2-oxoethyl)-3-methyl-2,6-dioxopurin-8-yl]methyl-dibenzylazanium Traditional Name: [7-(2-amino-2-keto-ethyl)-2,6-diketo-3-methyl-purin-8-yl]methyl-dibenzyl-ammonium Formula: C23H25N6O3+ MolecularWeight: 433.483

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6O3/c1-27-21-20(22(31)26-23(27)32)29(14-18(24)30)19(25-21)15-28(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H2,24,30)(H,26,31,32)/p+1