5-(4-phenoxyphenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-phenoxyphenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-phenoxyphenyl)-6-(3-pyridylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-phenoxyphenyl)-6-(3-pyridinylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-phenoxyphenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-phenoxyphenyl)-6-(3-pyridylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(NN=C4)N=C3SCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(NN=C4)N=C3SCC5=CN=CC=C5

InChI

InChI=1S/C23H17N5O2S/c29-22-20-14-25-27-21(20)26-23(31-15-16-5-4-12-24-13-16)28(22)17-8-10-19(11-9-17)30-18-6-2-1-3-7-18/h1-14H,15H2,(H,25,27)