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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-methylbutyl)-1-(2-morpholin-4-ylethyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopentyl-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-7-(3-methylbutyl)-1-[2-(4-morpholinyl)ethyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-methylbutyl)-1-(2-morpholin-4-ylethyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isoamyl-3-methyl-1-(2-morpholinoethyl)xanthine Formula: C22H33N7O3 MolecularWeight: 443.54252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

InChI

InChI=1S/C22H33N7O3/c1-15(2)6-7-27-18-19(23-21(27)29-17(4)14-16(3)24-29)25(5)22(31)28(20(18)30)9-8-26-10-12-32-13-11-26/h14-15H,6-13H2,1-5H3