3,9-dimethyl-6-(phenylmethoxyamino)-7-(phenylmethyl)purin-3-ium-8-one chloride

Systemtic Name: 3,9-dimethyl-6-(phenylmethoxyamino)-7-(phenylmethyl)purin-3-ium-8-one chloride Openeye Name: 7-benzyl-6-(benzyloxyamino)-3,9-dimethyl-purin-3-ium-8-one chloride CAS Name: 3,9-dimethyl-6-(phenylmethoxyamino)-7-(phenylmethyl)-8-purin-3-iumone chloride IUPAC Name: 7-benzyl-3,9-dimethyl-6-(phenylmethoxyamino)purin-3-ium-8-one chloride Traditional Name: 6-(benzoxyamino)-7-benzyl-3,9-dimethyl-purin-3-ium-8-one chloride Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=[N+](C=NC(=C2N(C1=O)CC3=CC=CC=C3)NOCC4=CC=CC=C4)C.[Cl-]

Isomeric SMILES

CN1C2=[N+](C=NC(=C2N(C1=O)CC3=CC=CC=C3)NOCC4=CC=CC=C4)C.[Cl-]

InChI

InChI=1S/C21H21N5O2.ClH/c1-24-15-22-19(23-28-14-17-11-7-4-8-12-17)18-20(24)25(2)21(27)26(18)13-16-9-5-3-6-10-16;/h3-12,15H,13-14H2,1-2H3;1H