1-(3,3-dimethyl-2-oxidanylidene-butyl)-7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)-7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-(3,3-dimethyl-2-oxo-butyl)-7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-7-ethyl-3-methyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-(3,3-dimethyl-2-oxobutyl)-7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-ethyl-1-(2-keto-3,3-dimethyl-butyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O3/c1-9-24-15-16(21-18(24)26-13(4)11(2)12(3)22-26)23(8)19(29)25(17(15)28)10-14(27)20(5,6)7/h9-10H2,1-8H3