N-(4-bromanyl-2-fluoranyl-phenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-bromo-2-fluoro-phenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine CAS Name: N-(4-bromo-2-fluorophenyl)-6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (4-bromo-2-fluoro-phenyl)-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amine Formula: C16H9BrClFN4O2S MolecularWeight: 455.688663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F)Cl

InChI

InChI=1S/C16H9BrClFN4O2S/c17-9-1-6-13(12(19)7-9)22-15-14(23(24)25)16(21-8-20-15)26-11-4-2-10(18)3-5-11/h1-8H,(H,20,21,22)