5-phenyl-6-(pyridin-2-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-6-(pyridin-2-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-phenyl-6-(2-pyridylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-phenyl-6-(2-pyridinylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-phenyl-6-(pyridin-2-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-phenyl-6-(2-pyridylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=N4

InChI

InChI=1S/C17H13N5OS/c23-16-14-10-19-21-15(14)20-17(22(16)13-7-2-1-3-8-13)24-11-12-6-4-5-9-18-12/h1-10H,11H2,(H,19,21)