8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-morpholin-4-ylethyl)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-morpholin-4-ylethyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-[2-(4-morpholinyl)ethyl]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-morpholin-4-ylethyl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-(2-morpholinoethyl)xanthine Formula: C20H29N7O3 MolecularWeight: 415.48936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

InChI

InChI=1S/C20H29N7O3/c1-13(2)26-16-17(21-19(26)27-15(4)12-14(3)22-27)23(5)20(29)25(18(16)28)7-6-24-8-10-30-11-9-24/h12-13H,6-11H2,1-5H3