5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-2-ethyl-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-2-ethyl-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-2-ethyl-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[(2-chloro-6-fluorophenyl)methylthio]-2-ethyl-6-phenethyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-2-ethyl-6-phenethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[(2-chloro-6-fluoro-benzyl)thio]-2-ethyl-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H20ClFN4OS MolecularWeight: 442.936803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CCC4=CC=CC=C4

InChI

InChI=1S/C22H20ClFN4OS/c1-2-27-13-19-20(26-27)21(29)28(12-11-15-7-4-3-5-8-15)22(25-19)30-14-16-17(23)9-6-10-18(16)24/h3-10,13H,2,11-12,14H2,1H3