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

Systemtic Name: 2-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-6-(phenylmethyl)pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 6-benzyl-2-ethyl-5-[(3-fluorophenyl)methylsulfanyl]pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2-ethyl-5-[(3-fluorophenyl)methylthio]-6-(phenylmethyl)-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 6-benzyl-2-ethyl-5-[(3-fluorophenyl)methylsulfanyl]pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 6-benzyl-2-ethyl-5-[(3-fluorobenzyl)thio]pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H19FN4OS MolecularWeight: 394.465163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C21H19FN4OS/c1-2-25-13-18-19(24-25)20(27)26(12-15-7-4-3-5-8-15)21(23-18)28-14-16-9-6-10-17(22)11-16/h3-11,13H,2,12,14H2,1H3