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

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(3-methyl-2,6-dioxo-7-propyl-purin-8-yl)methyl]ammonium CAS Name: (3-methyl-2,6-dioxo-7-propyl-8-purinyl)methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(3-methyl-2,6-dioxo-7-propylpurin-8-yl)methyl]azanium Traditional Name: dibenzyl-[(2,6-diketo-3-methyl-7-propyl-purin-8-yl)methyl]ammonium Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-3-14-29-20(25-22-21(29)23(30)26-24(31)27(22)2)17-28(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13H,3,14-17H2,1-2H3,(H,26,30,31)/p+1