4-[4-(2-diethylaminoethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-(2-diethylaminoethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[4-(2-diethylaminoethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[4-(2-diethylaminoethylthio)-1-pyrazolo[3,4-d]pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[4-(2-diethylaminoethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[4-(2-diethylaminoethylthio)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C17H22N6O2S2 MolecularWeight: 406.52558

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCN(CC)CCSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H22N6O2S2/c1-3-22(4-2)9-10-26-17-15-11-21-23(16(15)19-12-20-17)13-5-7-14(8-6-13)27(18,24)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,18,24,25)