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

Systemtic Name: 6-cyclopentyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-cyclopentyl-2-(3,3-dimethyl-2-oxo-butyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-cyclopentyl-2-(3,3-dimethyl-2-oxobutyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-cyclopentyl-2-(3,3-dimethyl-2-oxobutyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-cyclopentyl-2-(2-keto-3,3-dimethyl-butyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H29N5O3 MolecularWeight: 399.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC(=O)C(C)(C)C)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC(=O)C(C)(C)C)C)C

InChI

InChI=1S/C21H29N5O3/c1-12-13(2)26-16-17(22-19(26)25(12)14-9-7-8-10-14)23(6)20(29)24(18(16)28)11-15(27)21(3,4)5/h14H,7-11H2,1-6H3