3-(2-diethylaminoethyl)-1,7-dimethyl-purine-2,6-dione hydrochloride

Systemtic Name: 3-(2-diethylaminoethyl)-1,7-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 3-(2-diethylaminoethyl)-1,7-dimethyl-purine-2,6-dione hydrochloride CAS Name: 3-(2-diethylaminoethyl)-1,7-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 3-(2-diethylaminoethyl)-1,7-dimethylpurine-2,6-dione hydrochloride Traditional Name: 3-(2-diethylaminoethyl)-1,7-dimethyl-xanthine hydrochloride Formula: C13H22ClN5O2 MolecularWeight: 315.79908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C.Cl

Isomeric SMILES

CCN(CC)CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C.Cl

InChI

InChI=1S/C13H21N5O2.ClH/c1-5-17(6-2)7-8-18-11-10(15(3)9-14-11)12(19)16(4)13(18)20;/h9H,5-8H2,1-4H3;1H