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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC(=O)C(C)(C)C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC(=O)C(C)(C)C)CC

InChI

InChI=1S/C20H28N6O3/c1-8-12-10-13(9-2)26(22-12)18-21-16-15(23(18)6)17(28)25(19(29)24(16)7)11-14(27)20(3,4)5/h10H,8-9,11H2,1-7H3