5-(4-chlorophenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-chlorophenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-6-(o-tolylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-6-[(2-methylphenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-6-[(2-methylbenzyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H15ClN4OS MolecularWeight: 382.8666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H15ClN4OS/c1-12-4-2-3-5-13(12)11-26-19-22-17-16(10-21-23-17)18(25)24(19)15-8-6-14(20)7-9-15/h2-10H,11H2,1H3,(H,21,23)