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

Systemtic Name: 7-[2-[[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]-1,3-dimethyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4/c1-11(15(25)12-4-6-13(24)7-5-12)19-8-9-23-10-20-16-14(23)17(26)22(3)18(27)21(16)2/h4-7,10-11,15,19,24-25H,8-9H2,1-3H3