4-(dimethylamino)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide

Systemtic Name: 4-(dimethylamino)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Openeye Name: 4-(dimethylamino)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide CAS Name: 4-(dimethylamino)-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 4-(dimethylamino)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Traditional Name: 4-(dimethylamino)-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C21H27N7OS MolecularWeight: 425.55038

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

InChI

InChI=1S/C21H27N7OS/c1-26(2)16-8-6-15(7-9-16)20(29)22-10-13-28-19-17(14-23-28)18(24-21(25-19)30-3)27-11-4-5-12-27/h6-9,14H,4-5,10-13H2,1-3H3,(H,22,29)