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

Systemtic Name: N-[2-(4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(4-morpholinopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(4-morpholinopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-nitro-benzenesulfonamide Formula: C17H19N7O5S MolecularWeight: 433.44166

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O5S/c25-24(26)13-1-3-14(4-2-13)30(27,28)21-5-6-23-17-15(11-20-23)16(18-12-19-17)22-7-9-29-10-8-22/h1-4,11-12,21H,5-10H2