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

Systemtic Name: N-[3-(phenylcarbonyl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(3-benzoylphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(3-benzoylphenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(3-benzoylphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(3-benzoylphenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C26H19N5O2S MolecularWeight: 465.52636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C26H19N5O2S/c32-23(18-7-2-1-3-8-18)19-9-5-11-21(13-19)30-25(33)20-10-4-6-17(12-20)15-34-26-22-14-29-31-24(22)27-16-28-26/h1-14,16H,15H2,(H,30,33)(H,27,28,29,31)