N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoyl-benzamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoyl-benzamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoyl-benzamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-sulfamoylbenzamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoylbenzamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoyl-benzamide Formula: C20H27N7O3S2 MolecularWeight: 477.60348

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N)C(=N1)NCC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N)C(=N1)NCC(C)C

InChI

InChI=1S/C20H27N7O3S2/c1-4-31-20-25-17(23-11-13(2)3)16-12-24-27(18(16)26-20)10-9-22-19(28)14-5-7-15(8-6-14)32(21,29)30/h5-8,12-13H,4,9-11H2,1-3H3,(H,22,28)(H2,21,29,30)(H,23,25,26)