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

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-N4-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-N4-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2,3-dimethylphenyl)amine Formula: C18H15ClFN5O2 MolecularWeight: 387.795403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClFN5O2/c1-10-4-3-5-15(11(10)2)24-18-16(25(26)27)17(21-9-22-18)23-12-6-7-14(20)13(19)8-12/h3-9H,1-2H3,(H2,21,22,23,24)