N-[4-[[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(4-bromo-2-fluoroanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C18H14BrFN6O3 MolecularWeight: 461.244563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14BrFN6O3/c1-10(27)23-12-3-5-13(6-4-12)24-17-16(26(28)29)18(22-9-21-17)25-15-7-2-11(19)8-14(15)20/h2-9H,1H3,(H,23,27)(H2,21,22,24,25)