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

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: 6-keto-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-pyridine-3-carboxamide Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CNC(=O)C=C3)C(=N1)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CNC(=O)C=C3)C(=N1)N4CCCC4

InChI

InChI=1S/C18H21N7O2S/c1-28-18-22-15(24-7-2-3-8-24)13-11-21-25(16(13)23-18)9-6-19-17(27)12-4-5-14(26)20-10-12/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,27)(H,20,26)