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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-keto-1H-pyridine-3-carboxamide Formula: C19H23N7O2S MolecularWeight: 413.49662

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CNC(=O)C=C3)C(=N1)N4CCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CNC(=O)C=C3)C(=N1)N4CCCC4

InChI

InChI=1S/C19H23N7O2S/c1-2-29-19-23-16(25-8-3-4-9-25)14-12-22-26(17(14)24-19)10-7-20-18(28)13-5-6-15(27)21-11-13/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,28)(H,21,27)