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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-3-4-15-30-21(26-23-22(30)24(31)27-25(32)28(23)2)18-29(16-19-11-7-5-8-12-19)17-20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3,(H,27,31,32)/p+1