5-[3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)O)C

InChI

InChI=1S/C22H22N4O3/c1-15-8-9-20(16(2)10-15)29-13-18(27)12-25-14-23-21-19(22(25)28)11-24-26(21)17-6-4-3-5-7-17/h3-11,14,18,27H,12-13H2,1-2H3