7-[3-[1-(4-hydroxyphenyl)propan-2-ylamino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride

Systemtic Name: 7-[3-[1-(4-hydroxyphenyl)propan-2-ylamino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 7-[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[2-hydroxy-3-[[2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]propyl]-1,3-dimethyl-xanthine hydrochloride Formula: C19H26ClN5O4 MolecularWeight: 423.89384

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)O)NCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O.Cl

Isomeric SMILES

CC(CC1=CC=C(C=C1)O)NCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O.Cl

InChI

InChI=1S/C19H25N5O4.ClH/c1-12(8-13-4-6-14(25)7-5-13)20-9-15(26)10-24-11-21-17-16(24)18(27)23(3)19(28)22(17)2;/h4-7,11-12,15,20,25-26H,8-10H2,1-3H3;1H