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

Systemtic Name: 1-[3-[[6-[(4-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(4-bromoanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(4-bromoanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(4-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=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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