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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-(4-bromo-2-fluoro-phenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-(4-bromo-2-fluorophenyl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(4-bromo-2-fluorophenyl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: (4-bromo-2-fluoro-phenyl)-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C16H10BrFN4O2S MolecularWeight: 421.243603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H10BrFN4O2S/c17-10-6-7-13(12(18)8-10)21-15-14(22(23)24)16(20-9-19-15)25-11-4-2-1-3-5-11/h1-9H,(H,19,20,21)