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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2/c1-3-4-11-16-31-22(27-24-23(31)25(32)28-26(33)29(24)2)19-30(17-20-12-7-5-8-13-20)18-21-14-9-6-10-15-21/h5-10,12-15H,3-4,11,16-19H2,1-2H3,(H,28,32,33)/p+1