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

Systemtic Name: 2-azanyl-7,9-bis(phenylmethyl)-3H-purin-9-ium-6-one bromide Openeye Name: 2-amino-7,9-dibenzyl-3H-purin-9-ium-6-one bromide CAS Name: 2-amino-7,9-bis(phenylmethyl)-3H-purin-9-ium-6-one bromide IUPAC Name: 2-amino-7,9-dibenzyl-3H-purin-9-ium-6-one bromide Traditional Name: 2-amino-7,9-dibenzyl-3H-purin-9-ium-6-one bromide Formula: C19H18BrN5O MolecularWeight: 412.28312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=[N+](C3=C2C(=O)N=C(N3)N)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=[N+](C3=C2C(=O)N=C(N3)N)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C19H17N5O.BrH/c20-19-21-17-16(18(25)22-19)23(11-14-7-3-1-4-8-14)13-24(17)12-15-9-5-2-6-10-15;/h1-10,13H,11-12H2,(H2-,20,21,22,25);1H