2-[2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-7-yl]ethyl-dimethyl-azanium chloride

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-7-yl]ethyl-dimethyl-azanium chloride Openeye Name: 2-(3-benzyl-2,6-dioxo-purin-7-yl)ethyl-dimethyl-ammonium chloride CAS Name: 2-[2,6-dioxo-3-(phenylmethyl)-7-purinyl]ethyl-dimethylammonium chloride IUPAC Name: 2-(3-benzyl-2,6-dioxopurin-7-yl)ethyl-dimethylazanium chloride Traditional Name: 2-(3-benzyl-2,6-diketo-purin-7-yl)ethyl-dimethyl-ammonium chloride Formula: C16H20ClN5O2 MolecularWeight: 349.8153

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+](C)CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H19N5O2.ClH/c1-19(2)8-9-20-11-17-14-13(20)15(22)18-16(23)21(14)10-12-6-4-3-5-7-12;/h3-7,11H,8-10H2,1-2H3,(H,18,22,23);1H