4-morpholin-4-yl-3-nitro-N-[2-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[2-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide Openeye Name: 4-morpholino-3-nitro-N-[2-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[2-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[2-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide Traditional Name: N-[2-(4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-morpholino-3-nitro-benzamide Formula: C22H19N7O5 MolecularWeight: 461.43016

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4C5=NC=NC(=O)C5=CN4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4C5=NC=NC(=O)C5=CN4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N7O5/c30-21(14-5-6-18(19(11-14)29(32)33)27-7-9-34-10-8-27)26-16-3-1-2-4-17(16)28-20-15(12-25-28)22(31)24-13-23-20/h1-6,11-13,25H,7-10H2,(H,26,30)