[1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methyl-bis(phenylmethyl)azanium

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(1,3-dimethyl-2,6-dioxo-7-phenethyl-purin-8-yl)methyl]ammonium CAS Name: (1,3-dimethyl-2,6-dioxo-7-phenethyl-8-purinyl)methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(1,3-dimethyl-2,6-dioxo-7-phenethylpurin-8-yl)methyl]azanium Traditional Name: dibenzyl-[(2,6-diketo-1,3-dimethyl-7-phenethyl-purin-8-yl)methyl]ammonium Formula: C30H32N5O2+ MolecularWeight: 494.60738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C30H31N5O2/c1-32-28-27(29(36)33(2)30(32)37)35(19-18-23-12-6-3-7-13-23)26(31-28)22-34(20-24-14-8-4-9-15-24)21-25-16-10-5-11-17-25/h3-17H,18-22H2,1-2H3/p+1