1,3-dimethyl-7-(2-morpholin-4-ylethyl)-8-[oxidanyl(phenyl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-morpholin-4-ylethyl)-8-[oxidanyl(phenyl)methyl]purine-2,6-dione Openeye Name: 8-[hydroxy(phenyl)methyl]-1,3-dimethyl-7-(2-morpholinoethyl)purine-2,6-dione CAS Name: 8-[hydroxy(phenyl)methyl]-1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]purine-2,6-dione IUPAC Name: 8-[hydroxy(phenyl)methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione Traditional Name: 8-[hydroxy(phenyl)methyl]-1,3-dimethyl-7-(2-morpholinoethyl)xanthine Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C(C3=CC=CC=C3)O)CCN4CCOCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C(C3=CC=CC=C3)O)CCN4CCOCC4

InChI

InChI=1S/C20H25N5O4/c1-22-17-15(19(27)23(2)20(22)28)25(9-8-24-10-12-29-13-11-24)18(21-17)16(26)14-6-4-3-5-7-14/h3-7,16,26H,8-13H2,1-2H3