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

Systemtic Name: N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxidanylidene-pyran-3-carboxamide Openeye Name: N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-pyran-3-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-3-pyrancarboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxopyran-3-carboxamide Traditional Name: 6-keto-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyran-3-carboxamide Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=COC(=O)C=C3)C(=N1)N4CCCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=COC(=O)C=C3)C(=N1)N4CCCCC4

InChI

InChI=1S/C19H22N6O3S/c1-29-19-22-16(24-8-3-2-4-9-24)14-11-21-25(17(14)23-19)10-7-20-18(27)13-5-6-15(26)28-12-13/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,27)