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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(2-morpholin-4-ylethyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-ethyl-3-methyl-1-[2-(4-morpholinyl)ethyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(2-morpholin-4-ylethyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(2-morpholinoethyl)xanthine Formula: C19H27N7O3 MolecularWeight: 401.46278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCN4CCOCC4)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCN4CCOCC4)C

InChI

InChI=1S/C19H27N7O3/c1-5-24-15-16(20-18(24)26-14(3)12-13(2)21-26)22(4)19(28)25(17(15)27)7-6-23-8-10-29-11-9-23/h12H,5-11H2,1-4H3