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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(C3=C4C=NNC4=NC=N3)S

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(C3=C4C=NNC4=NC=N3)S

InChI

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