4-chloranyl-2-oxidanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 4-chloranyl-2-oxidanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 4-chloro-2-hydroxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 4-chloro-2-hydroxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: 4-chloro-2-hydroxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide Formula: C19H14ClN5O2S MolecularWeight: 411.86476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)O)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)O)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C19H14ClN5O2S/c20-12-4-5-14(16(26)7-12)18(27)24-13-3-1-2-11(6-13)9-28-19-15-8-23-25-17(15)21-10-22-19/h1-8,10,26H,9H2,(H,24,27)(H,21,22,23,25)