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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCCN2C(=O)C3=C(N=CN3C)N(C2=O)C.Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NCCN2C(=O)C3=C(N=CN3C)N(C2=O)C.Cl

InChI

InChI=1S/C17H21N5O2.ClH/c1-12(13-7-5-4-6-8-13)18-9-10-22-16(23)14-15(19-11-20(14)2)21(3)17(22)24;/h4-8,11-12,18H,9-10H2,1-3H3;1H