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

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-N4-ethyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-N4-ethyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C19H17ClFN5O2 MolecularWeight: 401.821983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClFN5O2/c1-3-25(14-6-4-5-12(2)9-14)19-17(26(27)28)18(22-11-23-19)24-13-7-8-16(21)15(20)10-13/h4-11H,3H2,1-2H3,(H,22,23,24)