2-methyl-5-nitro-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[2-[4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Formula: C17H21N7O4S MolecularWeight: 419.45814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N7O4S/c1-3-6-18-16-14-10-21-23(17(14)20-11-19-16)8-7-22-29(27,28)15-9-13(24(25)26)5-4-12(15)2/h4-5,9-11,22H,3,6-8H2,1-2H3,(H,18,19,20)