4-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(3-fluoro-4-methoxyphenyl)methylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(3-fluoro-4-methoxy-benzyl)thio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C19H15FN4OS MolecularWeight: 366.412003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)F

InChI

InChI=1S/C19H15FN4OS/c1-25-17-8-7-13(9-16(17)20)11-26-19-15-10-23-24(18(15)21-12-22-19)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3