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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxidanylidene-pyran-3-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxo-pyran-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-3-pyrancarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxopyran-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-keto-pyran-3-carboxamide Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=COC(=O)C=C3)C(=N1)N4CCOCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=COC(=O)C=C3)C(=N1)N4CCOCC4

InChI

InChI=1S/C19H22N6O4S/c1-2-30-19-22-16(24-7-9-28-10-8-24)14-11-21-25(17(14)23-19)6-5-20-18(27)13-3-4-15(26)29-12-13/h3-4,11-12H,2,5-10H2,1H3,(H,20,27)