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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCN4CCOCC4)C

Isomeric SMILES

CCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCN4CCOCC4)C

InChI

InChI=1S/C20H29N7O3/c1-5-6-25-16-17(21-19(25)27-15(3)13-14(2)22-27)23(4)20(29)26(18(16)28)8-7-24-9-11-30-12-10-24/h13H,5-12H2,1-4H3