N-[9-(3,3-dimethyl-2-oxidanylidene-butyl)-6-oxidanylidene-7-(phenylmethyl)-3H-purin-9-ium-2-yl]-2-methyl-propanamide

Systemtic Name: N-[9-(3,3-dimethyl-2-oxidanylidene-butyl)-6-oxidanylidene-7-(phenylmethyl)-3H-purin-9-ium-2-yl]-2-methyl-propanamide Openeye Name: N-[7-benzyl-9-(3,3-dimethyl-2-oxo-butyl)-6-oxo-3H-purin-9-ium-2-yl]-2-methyl-propanamide CAS Name: N-[9-(3,3-dimethyl-2-oxobutyl)-6-oxo-7-(phenylmethyl)-3H-purin-9-ium-2-yl]-2-methylpropanamide IUPAC Name: N-[7-benzyl-9-(3,3-dimethyl-2-oxobutyl)-6-oxo-3H-purin-9-ium-2-yl]-2-methylpropanamide Traditional Name: N-[7-benzyl-6-keto-9-(2-keto-3,3-dimethyl-butyl)-3H-purin-9-ium-2-yl]-2-methyl-propionamide Formula: C22H28N5O3+ MolecularWeight: 410.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)[N+](=CN2CC3=CC=CC=C3)CC(=O)C(C)(C)C

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)[N+](=CN2CC3=CC=CC=C3)CC(=O)C(C)(C)C

InChI

InChI=1S/C22H27N5O3/c1-14(2)19(29)24-21-23-18-17(20(30)25-21)26(11-15-9-7-6-8-10-15)13-27(18)12-16(28)22(3,4)5/h6-10,13-14H,11-12H2,1-5H3,(H-,23,24,25,29,30)/p+1