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

Systemtic Name: 4-acetamido-N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Openeye Name: 4-acetamido-N-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide CAS Name: 4-acetamido-N-[2-[6-(methylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 4-acetamido-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Traditional Name: 4-acetamido-N-[2-[6-(methylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C21H25N7O3S MolecularWeight: 455.5333

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCOCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCOCC4

InChI

InChI=1S/C21H25N7O3S/c1-14(29)24-16-5-3-15(4-6-16)20(30)22-7-8-28-19-17(13-23-28)18(25-21(26-19)32-2)27-9-11-31-12-10-27/h3-6,13H,7-12H2,1-2H3,(H,22,30)(H,24,29)