N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-8-sulfonamide

Systemtic Name: N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-8-sulfonamide Openeye Name: N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-8-sulfonamide CAS Name: N-[2-[4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-8-quinolinesulfonamide IUPAC Name: N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-8-sulfonamide Traditional Name: N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-8-sulfonamide Formula: C19H21N7O2S MolecularWeight: 411.48074

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC2=C1C=NN2CCNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCCNC1=NC=NC2=C1C=NN2CCNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C19H21N7O2S/c1-2-8-21-18-15-12-24-26(19(15)23-13-22-18)11-10-25-29(27,28)16-7-3-5-14-6-4-9-20-17(14)16/h3-7,9,12-13,25H,2,8,10-11H2,1H3,(H,21,22,23)