7-(3-chloranylpropyl)-N-phenylmethoxy-9-(phenylmethyl)purin-9-ium-6-amine chloride

Systemtic Name: 7-(3-chloranylpropyl)-N-phenylmethoxy-9-(phenylmethyl)purin-9-ium-6-amine chloride Openeye Name: 9-benzyl-N-benzyloxy-7-(3-chloropropyl)purin-9-ium-6-amine chloride CAS Name: 7-(3-chloropropyl)-N-phenylmethoxy-9-(phenylmethyl)-6-purin-9-iumamine chloride IUPAC Name: 9-benzyl-7-(3-chloropropyl)-N-phenylmethoxypurin-9-ium-6-amine chloride Traditional Name: benzoxy-[9-benzyl-7-(3-chloropropyl)purin-9-ium-6-yl]amine chloride Formula: C22H23Cl2N5O MolecularWeight: 444.35692

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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)CCCCl.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN5O.ClH/c23-12-7-13-27-17-28(14-18-8-3-1-4-9-18)22-20(27)21(24-16-25-22)26-29-15-19-10-5-2-6-11-19;/h1-6,8-11,16-17H,7,12-15H2,(H,24,25,26);1H/q+1;/p-1