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

Systemtic Name: N4,N6-bis(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(3-chloro-4-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C16H9Cl2F2N5O2 MolecularWeight: 412.177766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-])Cl)F

InChI

InChI=1S/C16H9Cl2F2N5O2/c17-10-5-8(1-3-12(10)19)23-15-14(25(26)27)16(22-7-21-15)24-9-2-4-13(20)11(18)6-9/h1-7H,(H2,21,22,23,24)