N2-(3-chlorophenyl)-N4-(4-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3-chlorophenyl)-N4-(4-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3-chlorophenyl)-N4-(4-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3-chlorophenyl)-N4-(4-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-chlorophenyl)-4-N-(4-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]-(4-fluorophenyl)amine Formula: C16H12ClFN6O2 MolecularWeight: 374.756883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClFN6O2/c17-9-2-1-3-12(8-9)21-16-22-14(19)13(24(25)26)15(23-16)20-11-6-4-10(18)5-7-11/h1-8H,(H4,19,20,21,22,23)