N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1,3-benzothiazole-2-carboxamide Formula: C21H23N7O2S2 MolecularWeight: 469.58302

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4S3)C(=N1)N5CCOCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4S3)C(=N1)N5CCOCC5

InChI

InChI=1S/C21H23N7O2S2/c1-2-31-21-25-17(27-9-11-30-12-10-27)14-13-23-28(18(14)26-21)8-7-22-19(29)20-24-15-5-3-4-6-16(15)32-20/h3-6,13H,2,7-12H2,1H3,(H,22,29)