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

Systemtic Name: 2-methyl-N-[2-(4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[2-(4-morpholinopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[2-[4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[2-(4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[2-(4-morpholinopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-nitro-benzenesulfonamide Formula: C18H21N7O5S MolecularWeight: 447.46824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCOCC4

InChI

InChI=1S/C18H21N7O5S/c1-13-2-3-14(25(26)27)10-16(13)31(28,29)22-4-5-24-18-15(11-21-24)17(19-12-20-18)23-6-8-30-9-7-23/h2-3,10-12,22H,4-9H2,1H3