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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-6-(o-tolylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(5-chloro-2-methoxyphenyl)-6-[(2-methylphenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-6-[(2-methylbenzyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O2S/c1-12-5-3-4-6-13(12)11-28-20-23-18-15(10-22-24-18)19(26)25(20)16-9-14(21)7-8-17(16)27-2/h3-10H,11H2,1-2H3,(H,22,24)