1,3-dimethyl-7-(3-morpholin-4-yl-2-oxidanyl-propyl)purine-2,6-dione hydrochloride

Systemtic Name: 1,3-dimethyl-7-(3-morpholin-4-yl-2-oxidanyl-propyl)purine-2,6-dione hydrochloride Openeye Name: 7-(2-hydroxy-3-morpholino-propyl)-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-hydroxy-3-(4-morpholinyl)propyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-(2-hydroxy-3-morpholin-4-ylpropyl)-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-(2-hydroxy-3-morpholino-propyl)-1,3-dimethyl-xanthine hydrochloride Formula: C14H22ClN5O4 MolecularWeight: 359.80858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCOCC3)O.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCOCC3)O.Cl

InChI

InChI=1S/C14H21N5O4.ClH/c1-16-12-11(13(21)17(2)14(16)22)19(9-15-12)8-10(20)7-18-3-5-23-6-4-18;/h9-10,20H,3-8H2,1-2H3;1H