1,3-dimethyl-8-morpholin-4-yl-7-(2-oxidanylidenepropyl)purine-2,6-dione hydrochloride

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-(2-oxidanylidenepropyl)purine-2,6-dione hydrochloride Openeye Name: 7-acetonyl-1,3-dimethyl-8-morpholino-purine-2,6-dione hydrochloride CAS Name: 1,3-dimethyl-8-(4-morpholinyl)-7-(2-oxopropyl)purine-2,6-dione hydrochloride IUPAC Name: 1,3-dimethyl-8-morpholin-4-yl-7-(2-oxopropyl)purine-2,6-dione hydrochloride Traditional Name: 7-acetonyl-1,3-dimethyl-8-morpholino-xanthine hydrochloride Formula: C14H20ClN5O4 MolecularWeight: 357.7927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)C)C.Cl

Isomeric SMILES

CC(=O)CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)C)C.Cl

InChI

InChI=1S/C14H19N5O4.ClH/c1-9(20)8-19-10-11(16(2)14(22)17(3)12(10)21)15-13(19)18-4-6-23-7-5-18;/h4-8H2,1-3H3;1H