8-(dimethylamino)-7-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-(dimethylamino)-7-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(dimethylamino)-7-(3,3-dimethyl-2-oxo-butyl)-3-methyl-purine-2,6-dione CAS Name: 8-(dimethylamino)-7-(3,3-dimethyl-2-oxobutyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(dimethylamino)-7-(3,3-dimethyl-2-oxobutyl)-3-methylpurine-2,6-dione Traditional Name: 8-(dimethylamino)-7-(2-keto-3,3-dimethyl-butyl)-3-methyl-xanthine Formula: C14H21N5O3 MolecularWeight: 307.34824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(N=C1N(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(N=C1N(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21N5O3/c1-14(2,3)8(20)7-19-9-10(15-12(19)17(4)5)18(6)13(22)16-11(9)21/h7H2,1-6H3,(H,16,21,22)