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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-1-isobutyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-(2-methoxyethyl)-3-methyl-1-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-1-isobutyl-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C18H26N6O3 MolecularWeight: 374.43744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CC(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CC(C)C)C

InChI

InChI=1S/C18H26N6O3/c1-11(2)10-23-16(25)14-15(21(5)18(23)26)19-17(22(14)7-8-27-6)24-13(4)9-12(3)20-24/h9,11H,7-8,10H2,1-6H3