4,6-bis[(4-fluorophenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4,6-bis[(4-fluorophenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4,6-bis[(4-fluorophenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4,6-bis[(4-fluorophenyl)methylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4,6-bis[(4-fluorophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4,6-bis[(4-fluorobenzyl)thio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C25H18F2N4S2 MolecularWeight: 476.564026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCC4=CC=C(C=C4)F)SCC5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCC4=CC=C(C=C4)F)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C25H18F2N4S2/c26-19-10-6-17(7-11-19)15-32-24-22-14-28-31(21-4-2-1-3-5-21)23(22)29-25(30-24)33-16-18-8-12-20(27)13-9-18/h1-14H,15-16H2