4-[(2R)-2-oxidanyl-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-2-oxidanyl-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-2-hydroxy-3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propoxy]benzonitrile CAS Name: 4-[(2R)-2-hydroxy-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propoxy]benzonitrile IUPAC Name: 4-[(2R)-2-hydroxy-3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propoxy]benzonitrile Traditional Name: 4-[(2R)-2-hydroxy-3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propoxy]benzonitrile Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)C[C@H](COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C21H17N5O3/c22-10-15-6-8-18(9-7-15)29-13-17(27)12-25-14-23-20-19(21(25)28)11-24-26(20)16-4-2-1-3-5-16/h1-9,11,14,17,27H,12-13H2/t17-/m1/s1