2-[[2,6-bis(oxidanylidene)-3,7-bis(phenylmethyl)purin-1-yl]methyl]pentanedinitrile

Systemtic Name: 2-[[2,6-bis(oxidanylidene)-3,7-bis(phenylmethyl)purin-1-yl]methyl]pentanedinitrile Openeye Name: 2-[(3,7-dibenzyl-2,6-dioxo-purin-1-yl)methyl]pentanedinitrile CAS Name: 2-[[2,6-dioxo-3,7-bis(phenylmethyl)-1-purinyl]methyl]pentanedinitrile IUPAC Name: 2-[(3,7-dibenzyl-2,6-dioxopurin-1-yl)methyl]pentanedinitrile Traditional Name: 2-[(3,7-dibenzyl-2,6-diketo-purin-1-yl)methyl]glutaronitrile Formula: C25H22N6O2 MolecularWeight: 438.48118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(CCC#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(CCC#N)C#N

InChI

InChI=1S/C25H22N6O2/c26-13-7-12-21(14-27)17-31-24(32)22-23(28-18-29(22)15-19-8-3-1-4-9-19)30(25(31)33)16-20-10-5-2-6-11-20/h1-6,8-11,18,21H,7,12,15-17H2