N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C16H11ClF3N5O3 MolecularWeight: 413.73845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClF3N5O3/c17-12-4-3-9(6-11(12)16(18,19)20)24-15-13(25(26)27)14(22-8-23-15)21-7-10-2-1-5-28-10/h1-6,8H,7H2,(H2,21,22,23,24)