1-(3,3-dimethyl-2-oxidanylidene-butyl)-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 1-(3,3-dimethyl-2-oxo-butyl)-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-8-(3,5-dimethyl-1-pyrazolyl)-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 1-(3,3-dimethyl-2-oxobutyl)-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-1-(2-keto-3,3-dimethyl-butyl)-3-methyl-xanthine Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC(=O)C(C)(C)C)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC(=O)C(C)(C)C)C

InChI

InChI=1S/C19H26N6O3/c1-8-23-14-15(20-17(23)25-12(3)9-11(2)21-25)22(7)18(28)24(16(14)27)10-13(26)19(4,5)6/h9H,8,10H2,1-7H3