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

Systemtic Name: 2-ethyl-6-phenethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 2-ethyl-6-phenethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2-ethyl-6-phenethyl-5-[[3-(trifluoromethyl)phenyl]methylthio]-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 2-ethyl-6-phenethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 2-ethyl-6-phenethyl-5-[[3-(trifluoromethyl)benzyl]thio]pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H21F3N4OS MolecularWeight: 458.49925

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)CCC4=CC=CC=C4

InChI

InChI=1S/C23H21F3N4OS/c1-2-29-14-19-20(28-29)21(31)30(12-11-16-7-4-3-5-8-16)22(27-19)32-15-17-9-6-10-18(13-17)23(24,25)26/h3-10,13-14H,2,11-12,15H2,1H3