1-(4-fluorophenyl)-6-[(3-methylphenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(4-fluorophenyl)-6-[(3-methylphenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-fluorophenyl)-6-(m-tolylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-fluorophenyl)-6-[(3-methylphenyl)methylthio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-fluorophenyl)-6-[(3-methylphenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(4-fluorophenyl)-6-[(3-methylbenzyl)thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H15FN4OS MolecularWeight: 366.412003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H15FN4OS/c1-12-3-2-4-13(9-12)11-26-19-22-17-16(18(25)23-19)10-21-24(17)15-7-5-14(20)6-8-15/h2-10,21H,11H2,1H3