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

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-N6-(4-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methyl-phenyl)-N6-(4-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-N6-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-6-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(4-fluorophenyl)amine Formula: C17H13ClFN5O2 MolecularWeight: 373.768823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H13ClFN5O2/c1-10-2-3-11(18)8-14(10)23-17-15(24(25)26)16(20-9-21-17)22-13-6-4-12(19)5-7-13/h2-9H,1H3,(H2,20,21,22,23)