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

Systemtic Name: N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1,3-benzothiazole-2-carboxamide Formula: C20H21N7O2S2 MolecularWeight: 455.55644

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4S3)C(=N1)N5CCOCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4S3)C(=N1)N5CCOCC5

InChI

InChI=1S/C20H21N7O2S2/c1-30-20-24-16(26-8-10-29-11-9-26)13-12-22-27(17(13)25-20)7-6-21-18(28)19-23-14-4-2-3-5-15(14)31-19/h2-5,12H,6-11H2,1H3,(H,21,28)