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

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-2,6-diethyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-2,6-diethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[(2-chloro-4-fluorophenyl)methylthio]-2,6-diethyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2,6-diethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[(2-chloro-4-fluoro-benzyl)thio]-2,6-diethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C16H16ClFN4OS MolecularWeight: 366.840843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)F)Cl)CC

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)F)Cl)CC

InChI

InChI=1S/C16H16ClFN4OS/c1-3-21-8-13-14(20-21)15(23)22(4-2)16(19-13)24-9-10-5-6-11(18)7-12(10)17/h5-8H,3-4,9H2,1-2H3