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

Systemtic Name: 5-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OC[C@H](CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5)O

InChI

InChI=1S/C26H22N4O3/c31-22(17-33-23-13-11-20(12-14-23)19-7-3-1-4-8-19)16-29-18-27-25-24(26(29)32)15-28-30(25)21-9-5-2-6-10-21/h1-15,18,22,31H,16-17H2/t22-/m0/s1