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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-quinolinecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinaldamide Formula: C22H25N7OS MolecularWeight: 435.5452

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=NC4=CC=CC=C4C=C3)SCC

Isomeric SMILES

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=NC4=CC=CC=C4C=C3)SCC

InChI

InChI=1S/C22H25N7OS/c1-3-11-23-19-16-14-25-29(20(16)28-22(27-19)31-4-2)13-12-24-21(30)18-10-9-15-7-5-6-8-17(15)26-18/h5-10,14H,3-4,11-13H2,1-2H3,(H,24,30)(H,23,27,28)