4,7-dimethyl-2-(2-methylpropyl)-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7-dimethyl-2-(2-methylpropyl)-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-benzyl-2-isobutyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-(2-methylpropyl)-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-benzyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-benzyl-2-isobutyl-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H23N5O2 MolecularWeight: 365.42892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)N(C3=O)CC(C)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)N(C3=O)CC(C)C)C

InChI

InChI=1S/C20H23N5O2/c1-13(2)10-25-18(26)16-17(22(4)20(25)27)21-19-23(14(3)11-24(16)19)12-15-8-6-5-7-9-15/h5-9,11,13H,10,12H2,1-4H3