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

Systemtic Name: 2-methylsulfanyl-N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Openeye Name: N-[2-(6-isopropylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methylsulfanyl-benzamide CAS Name: 2-(methylthio)-N-[2-[4-(4-morpholinyl)-6-(propan-2-ylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Traditional Name: N-[2-[6-(isopropylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(methylthio)benzamide Formula: C22H28N6O2S2 MolecularWeight: 472.62672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3SC)C(=N1)N4CCOCC4

Isomeric SMILES

CC(C)SC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3SC)C(=N1)N4CCOCC4

InChI

InChI=1S/C22H28N6O2S2/c1-15(2)32-22-25-19(27-10-12-30-13-11-27)17-14-24-28(20(17)26-22)9-8-23-21(29)16-6-4-5-7-18(16)31-3/h4-7,14-15H,8-13H2,1-3H3,(H,23,29)