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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(methylthio)nicotinamide Formula: C20H25N7O2S2 MolecularWeight: 459.5882

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(N=CC=C3)SC)C(=N1)N4CCOCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(N=CC=C3)SC)C(=N1)N4CCOCC4

InChI

InChI=1S/C20H25N7O2S2/c1-3-31-20-24-16(26-9-11-29-12-10-26)15-13-23-27(17(15)25-20)8-7-21-18(28)14-5-4-6-22-19(14)30-2/h4-6,13H,3,7-12H2,1-2H3,(H,21,28)