2-bromanyl-5-methoxy-N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide

Systemtic Name: 2-bromanyl-5-methoxy-N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Openeye Name: 2-bromo-5-methoxy-N-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide CAS Name: 2-bromo-5-methoxy-N-[2-[6-(methylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 2-bromo-5-methoxy-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Traditional Name: 2-bromo-5-methoxy-N-[2-[6-(methylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C20H23BrN6O3S MolecularWeight: 507.40402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCOCC4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCOCC4

InChI

InChI=1S/C20H23BrN6O3S/c1-29-13-3-4-16(21)14(11-13)19(28)22-5-6-27-18-15(12-23-27)17(24-20(25-18)31-2)26-7-9-30-10-8-26/h3-4,11-12H,5-10H2,1-2H3,(H,22,28)