4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(2-chloro-6-fluorophenyl)methylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)thio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C18H12ClFN4S MolecularWeight: 370.831083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C18H12ClFN4S/c19-15-7-4-8-16(20)14(15)10-25-18-13-9-23-24(17(13)21-11-22-18)12-5-2-1-3-6-12/h1-9,11H,10H2