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

Systemtic Name: 4-nitro-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Openeye Name: 4-nitro-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide CAS Name: 4-nitro-N-[2-[4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzenesulfonamide IUPAC Name: 4-nitro-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Traditional Name: 4-nitro-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Formula: C16H19N7O4S MolecularWeight: 405.43156

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC2=C1C=NN2CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=NC=NC2=C1C=NN2CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N7O4S/c1-2-7-17-15-14-10-20-22(16(14)19-11-18-15)9-8-21-28(26,27)13-5-3-12(4-6-13)23(24)25/h3-6,10-11,21H,2,7-9H2,1H3,(H,17,18,19)