3-methyl-7-[(2-methyl-2-morpholin-4-yl-1,3-dioxolan-4-yl)methyl]purine-2,6-dione hydrochloride

Systemtic Name: 3-methyl-7-[(2-methyl-2-morpholin-4-yl-1,3-dioxolan-4-yl)methyl]purine-2,6-dione hydrochloride Openeye Name: 3-methyl-7-[(2-methyl-2-morpholino-1,3-dioxolan-4-yl)methyl]purine-2,6-dione hydrochloride CAS Name: 3-methyl-7-[[2-methyl-2-(4-morpholinyl)-1,3-dioxolan-4-yl]methyl]purine-2,6-dione hydrochloride IUPAC Name: 3-methyl-7-[(2-methyl-2-morpholin-4-yl-1,3-dioxolan-4-yl)methyl]purine-2,6-dione hydrochloride Traditional Name: 3-methyl-7-[(2-methyl-2-morpholino-1,3-dioxolan-4-yl)methyl]xanthine hydrochloride Formula: C15H22ClN5O5 MolecularWeight: 387.81868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CN2C=NC3=C2C(=O)NC(=O)N3C)N4CCOCC4.Cl

Isomeric SMILES

CC1(OCC(O1)CN2C=NC3=C2C(=O)NC(=O)N3C)N4CCOCC4.Cl

InChI

InChI=1S/C15H21N5O5.ClH/c1-15(20-3-5-23-6-4-20)24-8-10(25-15)7-19-9-16-12-11(19)13(21)17-14(22)18(12)2;/h9-10H,3-8H2,1-2H3,(H,17,21,22);1H