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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N7O3/c1-5-8-27-18-19(23-21(27)29-17(7-3)15-16(6-2)24-29)25(4)22(31)28(20(18)30)10-9-26-11-13-32-14-12-26/h15H,5-14H2,1-4H3