8-ethoxy-7-ethyl-3-(phenylmethyl)purin-3-ium-6-amine chloride

Systemtic Name: 8-ethoxy-7-ethyl-3-(phenylmethyl)purin-3-ium-6-amine chloride Openeye Name: 3-benzyl-8-ethoxy-7-ethyl-purin-3-ium-6-amine chloride CAS Name: 8-ethoxy-7-ethyl-3-(phenylmethyl)-6-purin-3-iumamine chloride IUPAC Name: 3-benzyl-8-ethoxy-7-ethylpurin-3-ium-6-amine chloride Traditional Name: (3-benzyl-8-ethoxy-7-ethyl-purin-3-ium-6-yl)amine chloride Formula: C16H20ClN5O MolecularWeight: 333.8159

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C[N+](=C2N=C1OCC)CC3=CC=CC=C3)N.[Cl-]

Isomeric SMILES

CCN1C2=C(N=C[N+](=C2N=C1OCC)CC3=CC=CC=C3)N.[Cl-]

InChI

InChI=1S/C16H19N5O.ClH/c1-3-21-13-14(17)18-11-20(10-12-8-6-5-7-9-12)15(13)19-16(21)22-4-2;/h5-9,11,17H,3-4,10H2,1-2H3;1H