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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-1-(3,3-dimethyl-2-oxo-butyl)-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-1-(3,3-dimethyl-2-oxobutyl)-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-1-(3,3-dimethyl-2-oxobutyl)-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-7-isopropyl-1-(2-keto-3,3-dimethyl-butyl)-3-methyl-xanthine Formula: C22H32N6O3 MolecularWeight: 428.52788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6O3/c1-9-14-11-15(10-2)28(24-14)20-23-18-17(27(20)13(3)4)19(30)26(21(31)25(18)8)12-16(29)22(5,6)7/h11,13H,9-10,12H2,1-8H3