7-[3-[[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]propyl]-1,3-dimethyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC(=CC=C3)O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC(=CC=C3)O)O

InChI

InChI=1S/C18H23N5O4/c1-21-16-15(17(26)22(2)18(21)27)23(11-20-16)8-4-7-19-10-14(25)12-5-3-6-13(24)9-12/h3,5-6,9,11,14,19,24-25H,4,7-8,10H2,1-2H3