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

Systemtic Name: 2-bromanyl-N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[2-(6-ethylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[2-[6-(ethylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-methoxybenzamide Traditional Name: 2-bromo-N-[2-[6-(ethylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide Formula: C21H25BrN6O3S MolecularWeight: 521.4306

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(C=CC(=C3)OC)Br)C(=N1)N4CCOCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(C=CC(=C3)OC)Br)C(=N1)N4CCOCC4

InChI

InChI=1S/C21H25BrN6O3S/c1-3-32-21-25-18(27-8-10-31-11-9-27)16-13-24-28(19(16)26-21)7-6-23-20(29)15-12-14(30-2)4-5-17(15)22/h4-5,12-13H,3,6-11H2,1-2H3,(H,23,29)