8-(3,5-diethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-1-isobutyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-7-(2-methoxyethyl)-3-methyl-1-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-1-isobutyl-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C20H30N6O3 MolecularWeight: 402.4906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CC(C)C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CC(C)C)CC

InChI

InChI=1S/C20H30N6O3/c1-7-14-11-15(8-2)26(22-14)19-21-17-16(24(19)9-10-29-6)18(27)25(12-13(3)4)20(28)23(17)5/h11,13H,7-10,12H2,1-6H3