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

Systemtic Name: [7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]ammonium CAS Name: (7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]azanium Traditional Name: dibenzyl-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]ammonium Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O2/c1-4-5-16-31-22(27-24-23(31)25(32)29(3)26(33)28(24)2)19-30(17-20-12-8-6-9-13-20)18-21-14-10-7-11-15-21/h6-15H,4-5,16-19H2,1-3H3/p+1