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

Systemtic Name: 6-[(3-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3-chlorophenyl)methylsulfanyl]-5-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3-chlorophenyl)methylthio]-5-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(3-chlorobenzyl)thio]-5-(p-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=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)Cl

InChI

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