5-(3-methylphenyl)-6-[(4-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(3-methylphenyl)-6-[(4-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(m-tolyl)-6-(p-tolylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3-methylphenyl)-6-[(4-methylphenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(3-methylphenyl)-6-[(4-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-methylbenzyl)thio]-5-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H18N4OS MolecularWeight: 362.44812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC(=C4)C

InChI

InChI=1S/C20H18N4OS/c1-13-6-8-15(9-7-13)12-26-20-22-18-17(11-21-23-18)19(25)24(20)16-5-3-4-14(2)10-16/h3-11H,12H2,1-2H3,(H,21,23)