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

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-N4-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-N4-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-N4-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-4-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2,4-dimethoxyphenyl)amine Formula: C18H15ClFN5O4 MolecularWeight: 419.794203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl)OC

InChI

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