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

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C15H11ClFN5O3 MolecularWeight: 363.730943

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClFN5O3/c16-11-6-9(3-4-12(11)17)21-15-13(22(23)24)14(19-8-20-15)18-7-10-2-1-5-25-10/h1-6,8H,7H2,(H2,18,19,20,21)