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

Systemtic Name: [3-methyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(7-isobutyl-3-methyl-2,6-dioxo-purin-8-yl)methyl]ammonium CAS Name: [3-methyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[[3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]methyl]azanium Traditional Name: dibenzyl-[(7-isobutyl-2,6-diketo-3-methyl-purin-8-yl)methyl]ammonium Formula: C25H30N5O2+ MolecularWeight: 432.538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-18(2)14-30-21(26-23-22(30)24(31)27-25(32)28(23)3)17-29(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,18H,14-17H2,1-3H3,(H,27,31,32)/p+1