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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(3,3-dimethyl-2-oxo-butyl)-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-8-(3,5-dimethyl-1-pyrazolyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(3,3-dimethyl-2-oxobutyl)-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-1-(2-keto-3,3-dimethyl-butyl)-3,7-dimethyl-xanthine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC(=O)C(C)(C)C)C

InChI

InChI=1S/C18H24N6O3/c1-10-8-11(2)24(20-10)16-19-14-13(21(16)6)15(26)23(17(27)22(14)7)9-12(25)18(3,4)5/h8H,9H2,1-7H3