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

Systemtic Name: 1-[3-[[5-nitro-6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-(4-phenoxyanilino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C24H19N5O4 MolecularWeight: 441.43876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H19N5O4/c1-16(30)17-6-5-7-19(14-17)28-24-22(29(31)32)23(25-15-26-24)27-18-10-12-21(13-11-18)33-20-8-3-2-4-9-20/h2-15H,1H3,(H2,25,26,27,28)