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

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-N4-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-N4-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-N4-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-4-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-o-phenetyl-amine Formula: C18H15ClFN5O3 MolecularWeight: 403.794803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H15ClFN5O3/c1-2-28-15-6-4-3-5-14(15)24-18-16(25(26)27)17(21-10-22-18)23-11-7-8-13(20)12(19)9-11/h3-10H,2H2,1H3,(H2,21,22,23,24)