N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H12Cl2FN5O2 MolecularWeight: 408.213883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl)Cl

InChI

InChI=1S/C17H12Cl2FN5O2/c18-12-4-2-1-3-10(12)8-21-16-15(25(26)27)17(23-9-22-16)24-11-5-6-14(20)13(19)7-11/h1-7,9H,8H2,(H2,21,22,23,24)