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

Systemtic Name: N-(3-methoxy-4-phenyl-phenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(3-methoxy-4-phenyl-phenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(3-methoxy-4-phenylphenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(3-methoxy-4-phenylphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(3-methoxy-4-phenyl-phenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C26H21N5O2S MolecularWeight: 467.54224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N5O2S/c1-33-23-13-20(10-11-21(23)18-7-3-2-4-8-18)30-25(32)19-9-5-6-17(12-19)15-34-26-22-14-29-31-24(22)27-16-28-26/h2-14,16H,15H2,1H3,(H,30,32)(H,27,28,29,31)