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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoxaline-2-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoxaline-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-quinoxalinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoxaline-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide Formula: C22H24N8OS MolecularWeight: 448.54396

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4N=C3)C(=N1)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4N=C3)C(=N1)N5CCCC5

InChI

InChI=1S/C22H24N8OS/c1-2-32-22-27-19(29-10-5-6-11-29)15-13-25-30(20(15)28-22)12-9-23-21(31)18-14-24-16-7-3-4-8-17(16)26-18/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H,23,31)