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

Systemtic Name: 3-tert-butyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 3-tert-butyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 3-tert-butyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 3-tert-butyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: 3-tert-butyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide Formula: C23H23N5OS MolecularWeight: 417.52662

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5OS/c1-23(2,3)17-8-5-7-16(11-17)21(29)27-18-9-4-6-15(10-18)13-30-22-19-12-26-28-20(19)24-14-25-22/h4-12,14H,13H2,1-3H3,(H,27,29)(H,24,25,26,28)