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

Systemtic Name: 5-(5-chloranyl-2-methyl-phenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(5-chloro-2-methyl-phenyl)-6-(o-tolylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(5-chloro-2-methylphenyl)-6-[(2-methylphenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(5-chloro-2-methylphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(5-chloro-2-methyl-phenyl)-6-[(2-methylbenzyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4C

InChI

InChI=1S/C20H17ClN4OS/c1-12-5-3-4-6-14(12)11-27-20-23-18-16(10-22-24-18)19(26)25(20)17-9-15(21)8-7-13(17)2/h3-10H,11H2,1-2H3,(H,22,24)