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

Systemtic Name: 3-[9-(diphenylmethyl)-6-(phenylmethoxyamino)purin-9-ium-7-yl]propan-1-ol Openeye Name: 3-[9-benzhydryl-6-(benzyloxyamino)purin-9-ium-7-yl]propan-1-ol CAS Name: 3-[9-(diphenylmethyl)-6-(phenylmethoxyamino)-7-purin-9-iumyl]-1-propanol IUPAC Name: 3-[9-benzhydryl-6-(phenylmethoxyamino)purin-9-ium-7-yl]propan-1-ol Traditional Name: 3-[9-benzhydryl-6-(benzoxyamino)purin-9-ium-7-yl]propan-1-ol Formula: C28H28N5O2+ MolecularWeight: 466.55422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CONC2=NC=NC3=C2N(C=[N+]3C(C4=CC=CC=C4)C5=CC=CC=C5)CCCO

Isomeric SMILES

C1=CC=C(C=C1)CONC2=NC=NC3=C2N(C=[N+]3C(C4=CC=CC=C4)C5=CC=CC=C5)CCCO

InChI

InChI=1S/C28H28N5O2/c34-18-10-17-32-21-33(25(23-13-6-2-7-14-23)24-15-8-3-9-16-24)28-26(32)27(29-20-30-28)31-35-19-22-11-4-1-5-12-22/h1-9,11-16,20-21,25,34H,10,17-19H2,(H,29,30,31)/q+1