[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitro-phenyl)methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitro-phenyl)methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2-morpholino-5-nitro-phenyl)methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-[2-(4-morpholinyl)-5-nitrophenyl]methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-(2-morpholino-5-nitro-phenyl)methanone Formula: C19H21BrN6O4 MolecularWeight: 477.31184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C19H21BrN6O4/c20-14-12-21-19(22-13-14)25-5-3-24(4-6-25)18(27)16-11-15(26(28)29)1-2-17(16)23-7-9-30-10-8-23/h1-2,11-13H,3-10H2