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

Systemtic Name: 1,3-dimethyl-7-[2-(phenethylamino)ethyl]purine-2,6-dione hydrochloride Openeye Name: 1,3-dimethyl-7-[2-(phenethylamino)ethyl]purine-2,6-dione hydrochloride CAS Name: 1,3-dimethyl-7-[2-(phenethylamino)ethyl]purine-2,6-dione hydrochloride IUPAC Name: 1,3-dimethyl-7-[2-(phenethylamino)ethyl]purine-2,6-dione hydrochloride Traditional Name: 1,3-dimethyl-7-[2-(phenethylamino)ethyl]xanthine hydrochloride Formula: C17H22ClN5O2 MolecularWeight: 363.84188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCC3=CC=CC=C3.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCC3=CC=CC=C3.Cl

InChI

InChI=1S/C17H21N5O2.ClH/c1-20-15-14(16(23)21(2)17(20)24)22(12-19-15)11-10-18-9-8-13-6-4-3-5-7-13;/h3-7,12,18H,8-11H2,1-2H3;1H