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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-(2-morpholin-4-ylethyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-(2-methoxyethyl)-3-methyl-1-[2-(4-morpholinyl)ethyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-(2-morpholin-4-ylethyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-(2-morpholinoethyl)xanthine Formula: C20H29N7O4 MolecularWeight: 431.48876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

InChI

InChI=1S/C20H29N7O4/c1-14-13-15(2)27(22-14)19-21-17-16(25(19)9-10-30-4)18(28)26(20(29)23(17)3)6-5-24-7-11-31-12-8-24/h13H,5-12H2,1-4H3