N-(4-butan-2-ylphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4-butan-2-ylphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(4-sec-butylphenyl)benzamide CAS Name: N-(4-butan-2-ylphenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(4-butan-2-ylphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: 3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-N-(4-sec-butylphenyl)benzamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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