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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-1-(3,3-dimethyl-2-oxo-butyl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-1-(3,3-dimethyl-2-oxobutyl)-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-1-(3,3-dimethyl-2-oxobutyl)-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-1-(2-keto-3,3-dimethyl-butyl)-3-methyl-xanthine Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC)C(=O)N(C(=O)N3C)CC(=O)C(C)(C)C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC)C(=O)N(C(=O)N3C)CC(=O)C(C)(C)C)CC

InChI

InChI=1S/C21H30N6O3/c1-8-13-11-14(9-2)27(23-13)19-22-17-16(25(19)10-3)18(29)26(20(30)24(17)7)12-15(28)21(4,5)6/h11H,8-10,12H2,1-7H3