4-[3-(4-fluoranylphenoxy)propylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[3-(4-fluoranylphenoxy)propylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[3-(4-fluorophenoxy)propylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[3-(4-fluorophenoxy)propylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[3-(4-fluorophenoxy)propylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[3-(4-fluorophenoxy)propylthio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C20H17FN4OS MolecularWeight: 380.438583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCCOC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN4OS/c21-15-7-9-17(10-8-15)26-11-4-12-27-20-18-13-24-25(19(18)22-14-23-20)16-5-2-1-3-6-16/h1-3,5-10,13-14H,4,11-12H2