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

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-N4-(4,5-dimethylthiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-N4-(4,5-dimethyl-2-thiazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(4,5-dimethylthiazol-2-yl)amine Formula: C15H12ClFN6O2S MolecularWeight: 394.811183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C15H12ClFN6O2S/c1-7-8(2)26-15(20-7)22-14-12(23(24)25)13(18-6-19-14)21-9-3-4-11(17)10(16)5-9/h3-6H,1-2H3,(H2,18,19,20,21,22)