2-hydroxyethyl-dimethyl-[2-[6-[(phenylmethyl)amino]purin-9-yl]ethyl]azanium hydrobromide

Systemtic Name: 2-hydroxyethyl-dimethyl-[2-[6-[(phenylmethyl)amino]purin-9-yl]ethyl]azanium hydrobromide Openeye Name: 2-[6-(benzylamino)purin-9-yl]ethyl-(2-hydroxyethyl)-dimethyl-ammonium hydrobromide CAS Name: 2-hydroxyethyl-dimethyl-[2-[6-[(phenylmethyl)amino]-9-purinyl]ethyl]ammonium hydrobromide IUPAC Name: 2-[6-(benzylamino)purin-9-yl]ethyl-(2-hydroxyethyl)-dimethylazanium hydrobromide Traditional Name: 2-[6-(benzylamino)purin-9-yl]ethyl-(2-hydroxyethyl)-dimethyl-ammonium hydrobromide Formula: C18H26BrN6O+ MolecularWeight: 422.34264

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3)CCO.Br

Isomeric SMILES

C[N+](C)(CCN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3)CCO.Br

InChI

InChI=1S/C18H25N6O.BrH/c1-24(2,10-11-25)9-8-23-14-22-16-17(20-13-21-18(16)23)19-12-15-6-4-3-5-7-15;/h3-7,13-14,25H,8-12H2,1-2H3,(H,19,20,21);1H/q+1;