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

Systemtic Name: 4-ethoxy-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide CAS Name: 4-ethoxy-N-[2-[4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Formula: C18H24N6O3S MolecularWeight: 404.48656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O3S/c1-3-9-19-17-16-12-22-24(18(16)21-13-20-17)11-10-23-28(25,26)15-7-5-14(6-8-15)27-4-2/h5-8,12-13,23H,3-4,9-11H2,1-2H3,(H,19,20,21)