3,5-ditert-butyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 3,5-ditert-butyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 3,5-ditert-butyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 3,5-ditert-butyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 3,5-ditert-butyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: 3,5-ditert-butyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)C(C)(C)C

InChI

InChI=1S/C27H31N5OS/c1-26(2,3)19-11-18(12-20(13-19)27(4,5)6)24(33)31-21-9-7-8-17(10-21)15-34-25-22-14-30-32-23(22)28-16-29-25/h7-14,16H,15H2,1-6H3,(H,31,33)(H,28,29,30,32)