N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(2-fluorophenyl)amine Formula: C18H15ClFN5O4 MolecularWeight: 419.794203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3F)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3F)Cl)OC

InChI

InChI=1S/C18H15ClFN5O4/c1-28-14-8-15(29-2)13(7-10(14)19)24-18-16(25(26)27)17(21-9-22-18)23-12-6-4-3-5-11(12)20/h3-9H,1-2H3,(H2,21,22,23,24)