3-[6-(phenylmethoxyamino)-9-(phenylmethyl)purin-9-ium-7-yl]propan-1-ol bromide

Systemtic Name: 3-[6-(phenylmethoxyamino)-9-(phenylmethyl)purin-9-ium-7-yl]propan-1-ol bromide Openeye Name: 3-[9-benzyl-6-(benzyloxyamino)purin-9-ium-7-yl]propan-1-ol bromide CAS Name: 3-[6-(phenylmethoxyamino)-9-(phenylmethyl)-7-purin-9-iumyl]-1-propanol bromide IUPAC Name: 3-[9-benzyl-6-(phenylmethoxyamino)purin-9-ium-7-yl]propan-1-ol bromide Traditional Name: 3-[6-(benzoxyamino)-9-benzyl-purin-9-ium-7-yl]propan-1-ol bromide Formula: C22H24BrN5O2 MolecularWeight: 470.36226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CN(C3=C2N=CN=C3NOCC4=CC=CC=C4)CCCO.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN(C3=C2N=CN=C3NOCC4=CC=CC=C4)CCCO.[Br-]

InChI

InChI=1S/C22H24N5O2.BrH/c28-13-7-12-26-17-27(14-18-8-3-1-4-9-18)22-20(26)21(23-16-24-22)25-29-15-19-10-5-2-6-11-19;/h1-6,8-11,16-17,28H,7,12-15H2,(H,23,24,25);1H/q+1;/p-1