9-(3,3-dimethyl-2-oxidanylidene-butyl)-8-iodanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-(3,3-dimethyl-2-oxidanylidene-butyl)-8-iodanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-(3,3-dimethyl-2-oxo-butyl)-8-iodo-1,3-dimethyl-purine-2,6-dione CAS Name: 9-(3,3-dimethyl-2-oxobutyl)-8-iodo-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-(3,3-dimethyl-2-oxobutyl)-8-iodo-1,3-dimethylpurine-2,6-dione Traditional Name: 8-iodo-9-(2-keto-3,3-dimethyl-butyl)-1,3-dimethyl-xanthine Formula: C13H17IN4O3 MolecularWeight: 404.20355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1I

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1I

InChI

InChI=1S/C13H17IN4O3/c1-13(2,3)7(19)6-18-9-8(15-11(18)14)10(20)17(5)12(21)16(9)4/h6H2,1-5H3