N6-(3-chloranyl-4-fluoranyl-phenyl)-N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-N4-(5-methylisoxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-N4-(5-methyl-3-isoxazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C14H10ClFN6O3 MolecularWeight: 364.719003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C14H10ClFN6O3/c1-7-4-11(21-25-7)20-14-12(22(23)24)13(17-6-18-14)19-8-2-3-10(16)9(15)5-8/h2-6H,1H3,(H2,17,18,19,20,21)