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

Systemtic Name: 3,9-dimethyl-6-(phenylmethoxyamino)-7-(phenylmethyl)purin-3-ium-8-one Openeye Name: 7-benzyl-6-(benzyloxyamino)-3,9-dimethyl-purin-3-ium-8-one CAS Name: 3,9-dimethyl-6-(phenylmethoxyamino)-7-(phenylmethyl)-8-purin-3-iumone IUPAC Name: 7-benzyl-3,9-dimethyl-6-(phenylmethoxyamino)purin-3-ium-8-one Traditional Name: 6-(benzoxyamino)-7-benzyl-3,9-dimethyl-purin-3-ium-8-one Formula: C21H22N5O2+ MolecularWeight: 376.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2/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/p+1