N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-keto-pyrrolidine-2-carboxamide Formula: C19H27N7O2S MolecularWeight: 417.52838

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3CCC(=O)N3)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3CCC(=O)N3)C(=N1)N4CCCCC4

InChI

InChI=1S/C19H27N7O2S/c1-2-29-19-23-16(25-9-4-3-5-10-25)13-12-21-26(17(13)24-19)11-8-20-18(28)14-6-7-15(27)22-14/h12,14H,2-11H2,1H3,(H,20,28)(H,22,27)