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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoyl-benzamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoyl-benzamide CAS Name: N-[2-[6-(ethylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-sulfamoylbenzamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoylbenzamide Traditional Name: N-[2-[6-(ethylthio)-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoyl-benzamide Formula: C19H25N7O3S2 MolecularWeight: 463.5769

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25N7O3S2/c1-4-30-19-24-16(23-12(2)3)15-11-22-26(17(15)25-19)10-9-21-18(27)13-5-7-14(8-6-13)31(20,28)29/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,27)(H2,20,28,29)(H,23,24,25)