N2,N4-bis(4-chloranyl-3-nitro-phenyl)-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(4-chloranyl-3-nitro-phenyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(4-chloro-3-nitro-phenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(4-chloro-3-nitrophenyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(4-chloro-3-nitrophenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: [2-(4-chloro-3-nitro-anilino)-5-fluoro-pyrimidin-4-yl]-(4-chloro-3-nitro-phenyl)amine Formula: C16H9Cl2FN6O4 MolecularWeight: 439.184863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H9Cl2FN6O4/c17-10-3-1-8(5-13(10)24(26)27)21-15-12(19)7-20-16(23-15)22-9-2-4-11(18)14(6-9)25(28)29/h1-7H,(H2,20,21,22,23)