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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isobutyl-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-7-(2-methylpropyl)-1-[2-(4-morpholinyl)ethyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isobutyl-3-methyl-1-(2-morpholinoethyl)xanthine Formula: C21H31N7O3 MolecularWeight: 429.51594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

InChI

InChI=1S/C21H31N7O3/c1-14(2)13-27-17-18(22-20(27)28-16(4)12-15(3)23-28)24(5)21(30)26(19(17)29)7-6-25-8-10-31-11-9-25/h12,14H,6-11,13H2,1-5H3