4-(imidazol-1-ylmethyl)-N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide

Systemtic Name: 4-(imidazol-1-ylmethyl)-N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Openeye Name: 4-(imidazol-1-ylmethyl)-N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide CAS Name: 4-(1-imidazolylmethyl)-N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 4-(imidazol-1-ylmethyl)-N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Traditional Name: 4-(imidazol-1-ylmethyl)-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C24H28N8OS MolecularWeight: 476.59712

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)CN4C=CN=C4)C(=N1)N5CCCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)CN4C=CN=C4)C(=N1)N5CCCCC5

InChI

InChI=1S/C24H28N8OS/c1-34-24-28-21(31-11-3-2-4-12-31)20-15-27-32(22(20)29-24)14-10-26-23(33)19-7-5-18(6-8-19)16-30-13-9-25-17-30/h5-9,13,15,17H,2-4,10-12,14,16H2,1H3,(H,26,33)