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

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C17H12ClF2N5O2 MolecularWeight: 391.759286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl)F

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl)F

InChI

InChI=1S/C17H12ClF2N5O2/c18-13-7-12(5-6-14(13)20)24-17-15(25(26)27)16(22-9-23-17)21-8-10-1-3-11(19)4-2-10/h1-7,9H,8H2,(H2,21,22,23,24)