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

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2-methoxyethyl)amine Formula: C13H13ClFN5O3 MolecularWeight: 341.725423

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H13ClFN5O3/c1-23-5-4-16-12-11(20(21)22)13(18-7-17-12)19-8-2-3-10(15)9(14)6-8/h2-3,6-7H,4-5H2,1H3,(H2,16,17,18,19)