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

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methyl]ammonium CAS Name: (3-methyl-2,6-dioxo-7H-purin-8-yl)methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methyl]azanium Traditional Name: dibenzyl-[(2,6-diketo-3-methyl-7H-purin-8-yl)methyl]ammonium Formula: C21H22N5O2+ MolecularWeight: 376.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2/c1-25-19-18(20(27)24-21(25)28)22-17(23-19)14-26(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,22,23)(H,24,27,28)/p+1