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

Systemtic Name: 1-[3-[[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(3-bromoanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(3-bromoanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H14BrN5O3 MolecularWeight: 428.23946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN5O3/c1-11(25)12-4-2-6-14(8-12)22-17-16(24(26)27)18(21-10-20-17)23-15-7-3-5-13(19)9-15/h2-10H,1H3,(H2,20,21,22,23)