1,3-dimethyl-7-[2-[(1-oxidanyl-1-phenyl-propan-2-yl)amino]ethyl]purine-2,6-dione hydrochloride

Systemtic Name: 1,3-dimethyl-7-[2-[(1-oxidanyl-1-phenyl-propan-2-yl)amino]ethyl]purine-2,6-dione hydrochloride Openeye Name: 7-[2-[(2-hydroxy-1-methyl-2-phenyl-ethyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[2-[(2-hydroxy-1-methyl-2-phenyl-ethyl)amino]ethyl]-1,3-dimethyl-xanthine hydrochloride Formula: C18H24ClN5O3 MolecularWeight: 393.86786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl

InChI

InChI=1S/C18H23N5O3.ClH/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2;/h4-8,11-12,15,19,24H,9-10H2,1-3H3;1H