7-[2-[[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethyl]-1,3-dimethyl-xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4/c1-20-15-14(16(25)21(2)17(20)26)22(10-19-15)8-7-18-9-13(24)11-3-5-12(23)6-4-11/h3-6,10,13,18,23-24H,7-9H2,1-2H3