6-(3,3-dimethyl-2-oxidanylidene-butyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3,3-dimethyl-2-oxidanylidene-butyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3,3-dimethyl-2-oxo-butyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3,3-dimethyl-2-oxobutyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3,3-dimethyl-2-oxobutyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-keto-3,3-dimethyl-butyl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O3 MolecularWeight: 393.43902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3/c1-21(2,3)15(27)12-25-14(13-9-7-6-8-10-13)11-26-16-17(22-19(25)26)23(4)20(29)24(5)18(16)28/h6-11H,12H2,1-5H3