5-fluoranyl-N-[(E)-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methylideneamino]-4-morpholin-4-yl-pyrimidin-2-amine

Systemtic Name: 5-fluoranyl-N-[(E)-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methylideneamino]-4-morpholin-4-yl-pyrimidin-2-amine Openeye Name: 5-fluoro-N-[(E)-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methyleneamino]-4-morpholino-pyrimidin-2-amine CAS Name: 5-fluoro-N-[(E)-[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]methylideneamino]-4-(4-morpholinyl)-2-pyrimidinamine IUPAC Name: 5-fluoro-N-[(E)-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine Traditional Name: (5-fluoro-4-morpholino-pyrimidin-2-yl)-[(E)-[2-(4-methylpiperazino)-5-nitro-benzylidene]amino]amine Formula: C20H25FN8O3 MolecularWeight: 444.462703

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC3=NC=C(C(=N3)N4CCOCC4)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC3=NC=C(C(=N3)N4CCOCC4)F

InChI

InChI=1S/C20H25FN8O3/c1-26-4-6-27(7-5-26)18-3-2-16(29(30)31)12-15(18)13-23-25-20-22-14-17(21)19(24-20)28-8-10-32-11-9-28/h2-3,12-14H,4-11H2,1H3,(H,22,24,25)/b23-13+