8-chloranyl-1,3-dimethyl-7-[2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]purine-2,6-dione Openeye Name: 8-chloro-7-[2-hydroxy-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[3-(4-cumylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C25H27ClN4O4 MolecularWeight: 482.95928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)O

InChI

InChI=1S/C25H27ClN4O4/c1-25(2,16-8-6-5-7-9-16)17-10-12-19(13-11-17)34-15-18(31)14-30-20-21(27-23(30)26)28(3)24(33)29(4)22(20)32/h5-13,18,31H,14-15H2,1-4H3