1,3-dimethyl-7-[2-[methyl(2-oxidanylpropyl)amino]ethyl]purine-2,6-dione hydrochloride

Systemtic Name: 1,3-dimethyl-7-[2-[methyl(2-oxidanylpropyl)amino]ethyl]purine-2,6-dione hydrochloride Openeye Name: 7-[2-[2-hydroxypropyl(methyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-[2-hydroxypropyl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[2-[2-hydroxypropyl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[2-[2-hydroxypropyl(methyl)amino]ethyl]-1,3-dimethyl-xanthine hydrochloride Formula: C13H22ClN5O3 MolecularWeight: 331.79848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O.Cl

Isomeric SMILES

CC(CN(C)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O.Cl

InChI

InChI=1S/C13H21N5O3.ClH/c1-9(19)7-15(2)5-6-18-8-14-11-10(18)12(20)17(4)13(21)16(11)3;/h8-9,19H,5-7H2,1-4H3;1H