8-chloranyl-7-(3,3-dimethyl-2-oxidanylidene-butyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-(3,3-dimethyl-2-oxidanylidene-butyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-(3,3-dimethyl-2-oxo-butyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(2-keto-3,3-dimethyl-butyl)-1,3-dimethyl-xanthine Formula: C13H17ClN4O3 MolecularWeight: 312.75208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H17ClN4O3/c1-13(2,3)7(19)6-18-8-9(15-11(18)14)16(4)12(21)17(5)10(8)20/h6H2,1-5H3