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

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)methyl]ammonium CAS Name: (3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)methyl]azanium Traditional Name: dibenzyl-[(2,6-diketo-3-methyl-7-phenethyl-purin-8-yl)methyl]ammonium Formula: C29H30N5O2+ MolecularWeight: 480.5808

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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)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O2/c1-32-27-26(28(35)31-29(32)36)34(18-17-22-11-5-2-6-12-22)25(30-27)21-33(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16H,17-21H2,1H3,(H,31,35,36)/p+1