N-(3-methyl-4-propan-2-yl-phenyl)-3-[1H-pyrazolo[3,4-d]pyrimidin-4-yl(sulfanyl)methyl]benzamide

Systemtic Name: N-(3-methyl-4-propan-2-yl-phenyl)-3-[1H-pyrazolo[3,4-d]pyrimidin-4-yl(sulfanyl)methyl]benzamide Openeye Name: N-(4-isopropyl-3-methyl-phenyl)-3-[1H-pyrazolo[3,4-d]pyrimidin-4-yl(sulfanyl)methyl]benzamide CAS Name: 3-[mercapto(1H-pyrazolo[3,4-d]pyrimidin-4-yl)methyl]-N-(3-methyl-4-propan-2-ylphenyl)benzamide IUPAC Name: N-(3-methyl-4-propan-2-ylphenyl)-3-[1H-pyrazolo[3,4-d]pyrimidin-4-yl(sulfanyl)methyl]benzamide Traditional Name: N-(4-isopropyl-3-methyl-phenyl)-3-[mercapto(1H-pyrazolo[3,4-d]pyrimidin-4-yl)methyl]benzamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)C(C3=C4C=NNC4=NC=N3)S)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)C(C3=C4C=NNC4=NC=N3)S)C(C)C

InChI

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