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

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-N4-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-4-N-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2-methoxyphenyl)amine Formula: C17H13ClFN5O3 MolecularWeight: 389.768223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H13ClFN5O3/c1-27-14-5-3-2-4-13(14)23-17-15(24(25)26)16(20-9-21-17)22-10-6-7-12(19)11(18)8-10/h2-9H,1H3,(H2,20,21,22,23)