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

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-5-nitro-N4-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-5-nitro-N4-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C13H8ClFN6O2S MolecularWeight: 366.758023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-])Cl)F

InChI

InChI=1S/C13H8ClFN6O2S/c14-8-5-7(1-2-9(8)15)19-11-10(21(22)23)12(18-6-17-11)20-13-16-3-4-24-13/h1-6H,(H2,16,17,18,19,20)