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

Systemtic Name: 6-[(2-chlorophenyl)methylsulfanyl]-5-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2-chlorophenyl)methylsulfanyl]-5-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2-chlorophenyl)methylthio]-5-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2-chlorophenyl)methylsulfanyl]-5-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-chlorobenzyl)thio]-5-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H17ClN4O2S MolecularWeight: 460.93538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(NN=C4)N=C3SCC5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(NN=C4)N=C3SCC5=CC=CC=C5Cl

InChI

InChI=1S/C24H17ClN4O2S/c25-21-9-5-4-6-16(21)15-32-24-27-22-20(14-26-28-22)23(30)29(24)17-10-12-19(13-11-17)31-18-7-2-1-3-8-18/h1-14H,15H2,(H,26,28)