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

Systemtic Name: 2-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 2-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2-ethyl-5-[(4-fluorophenyl)methylthio]-6-phenethyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 2-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-6-phenethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 2-ethyl-5-[(4-fluorobenzyl)thio]-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H21FN4OS MolecularWeight: 408.491743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN4OS/c1-2-26-14-19-20(25-26)21(28)27(13-12-16-6-4-3-5-7-16)22(24-19)29-15-17-8-10-18(23)11-9-17/h3-11,14H,2,12-13,15H2,1H3