4-bromanyl-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide CAS Name: 4-bromo-N-[2-[4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Formula: C16H19BrN6O2S MolecularWeight: 439.33006

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC2=C1C=NN2CCNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCNC1=NC=NC2=C1C=NN2CCNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H19BrN6O2S/c1-2-7-18-15-14-10-21-23(16(14)20-11-19-15)9-8-22-26(24,25)13-5-3-12(17)4-6-13/h3-6,10-11,22H,2,7-9H2,1H3,(H,18,19,20)