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

Systemtic Name: 2-[[2,6-bis(oxidanylidene)-3,7-bis(phenylmethyl)purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[(3,7-dibenzyl-2,6-dioxo-purin-1-yl)methyl]benzonitrile CAS Name: 2-[[2,6-dioxo-3,7-bis(phenylmethyl)-1-purinyl]methyl]benzonitrile IUPAC Name: 2-[(3,7-dibenzyl-2,6-dioxopurin-1-yl)methyl]benzonitrile Traditional Name: 2-[(3,7-dibenzyl-2,6-diketo-purin-1-yl)methyl]benzonitrile Formula: C27H21N5O2 MolecularWeight: 447.48794

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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)CC5=CC=CC=C5C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5C#N

InChI

InChI=1S/C27H21N5O2/c28-15-22-13-7-8-14-23(22)18-32-26(33)24-25(29-19-30(24)16-20-9-3-1-4-10-20)31(27(32)34)17-21-11-5-2-6-12-21/h1-14,19H,16-18H2