N4-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-5-nitro-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(3-chloro-4-fluoro-phenyl)amine Formula: C16H11ClFN5O2 MolecularWeight: 359.742243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClFN5O2/c17-12-8-11(6-7-13(12)18)22-16-14(23(24)25)15(19-9-20-16)21-10-4-2-1-3-5-10/h1-9H,(H2,19,20,21,22)