1-[3-[[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(4-bromo-2-fluoroanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H13BrFN5O3 MolecularWeight: 446.229923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrFN5O3/c1-10(26)11-3-2-4-13(7-11)23-17-16(25(27)28)18(22-9-21-17)24-15-6-5-12(19)8-14(15)20/h2-9H,1H3,(H2,21,22,23,24)