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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5OS/c1-26(2,3)19-11-20(27(4,5)6)13-21(12-19)31-24(33)18-9-7-8-17(10-18)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)