7-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-1-non-8-enyl-purine-2,6-dione

Systemtic Name: 7-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-1-non-8-enyl-purine-2,6-dione Openeye Name: 7-(3,3-dimethyl-2-oxo-butyl)-3-methyl-1-non-8-enyl-purine-2,6-dione CAS Name: 7-(3,3-dimethyl-2-oxobutyl)-3-methyl-1-non-8-enylpurine-2,6-dione IUPAC Name: 7-(3,3-dimethyl-2-oxobutyl)-3-methyl-1-non-8-enylpurine-2,6-dione Traditional Name: 7-(2-keto-3,3-dimethyl-butyl)-3-methyl-1-non-8-enyl-xanthine Formula: C21H32N4O3 MolecularWeight: 388.50378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCC=C

Isomeric SMILES

CC(C)(C)C(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCC=C

InChI

InChI=1S/C21H32N4O3/c1-6-7-8-9-10-11-12-13-25-19(27)17-18(23(5)20(25)28)22-15-24(17)14-16(26)21(2,3)4/h6,15H,1,7-14H2,2-5H3