7,9-bis(phenylmethyl)-3H-purin-9-ium-6-one

Systemtic Name: 7,9-bis(phenylmethyl)-3H-purin-9-ium-6-one Openeye Name: 7,9-dibenzyl-3H-purin-9-ium-6-one CAS Name: 7,9-bis(phenylmethyl)-3H-purin-9-ium-6-one IUPAC Name: 7,9-dibenzyl-3H-purin-9-ium-6-one Traditional Name: 7,9-dibenzyl-3H-purin-9-ium-6-one Formula: C19H17N4O+ MolecularWeight: 317.36448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=[N+](C3=C2C(=O)N=CN3)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=[N+](C3=C2C(=O)N=CN3)CC4=CC=CC=C4

InChI

InChI=1S/C19H16N4O/c24-19-17-18(20-13-21-19)23(12-16-9-5-2-6-10-16)14-22(17)11-15-7-3-1-4-8-15/h1-10,13-14H,11-12H2/p+1