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

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)methylsulfanyl]-5-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-chlorophenyl)methylthio]-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-chlorobenzyl)thio]-5-(o-tolyl)-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=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=C(C=C4)Cl

InChI

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