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

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3,7-bis(phenylmethyl)purin-1-yl]ethanenitrile Openeye Name: 2-(3,7-dibenzyl-2,6-dioxo-purin-1-yl)acetonitrile CAS Name: 2-[2,6-dioxo-3,7-bis(phenylmethyl)-1-purinyl]acetonitrile IUPAC Name: 2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)acetonitrile Traditional Name: 2-(3,7-dibenzyl-2,6-diketo-purin-1-yl)acetonitrile Formula: C21H17N5O2 MolecularWeight: 371.39198

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O2/c22-11-12-25-20(27)18-19(23-15-24(18)13-16-7-3-1-4-8-16)26(21(25)28)14-17-9-5-2-6-10-17/h1-10,15H,12-14H2