5-fluoranyl-4-morpholin-4-yl-N-[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]pyrimidin-2-amine

Systemtic Name: 5-fluoranyl-4-morpholin-4-yl-N-[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]pyrimidin-2-amine Openeye Name: 5-fluoro-4-morpholino-N-[(E)-(4-morpholino-3-nitro-phenyl)methyleneamino]pyrimidin-2-amine CAS Name: 5-fluoro-4-(4-morpholinyl)-N-[(E)-[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino]-2-pyrimidinamine IUPAC Name: 5-fluoro-4-morpholin-4-yl-N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]pyrimidin-2-amine Traditional Name: (5-fluoro-4-morpholino-pyrimidin-2-yl)-[(E)-(4-morpholino-3-nitro-benzylidene)amino]amine Formula: C19H22FN7O4 MolecularWeight: 431.420883

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=NNC3=NC=C(C(=N3)N4CCOCC4)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=N/NC3=NC=C(C(=N3)N4CCOCC4)F)[N+](=O)[O-]

InChI

InChI=1S/C19H22FN7O4/c20-15-13-21-19(23-18(15)26-5-9-31-10-6-26)24-22-12-14-1-2-16(17(11-14)27(28)29)25-3-7-30-8-4-25/h1-2,11-13H,3-10H2,(H,21,23,24)/b22-12+