N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-6-(2,6-dimethyl-4-morpholinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-amine Traditional Name: (5-bromo-2-fluoro-benzyl)-[6-(2,6-dimethylmorpholino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H19BrFN5O3 MolecularWeight: 440.266863

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C(=NC=N2)NCC3=C(C=CC(=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)C2=C(C(=NC=N2)NCC3=C(C=CC(=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C17H19BrFN5O3/c1-10-7-23(8-11(2)27-10)17-15(24(25)26)16(21-9-22-17)20-6-12-5-13(18)3-4-14(12)19/h3-5,9-11H,6-8H2,1-2H3,(H,20,21,22)