N-[3,4-bis(fluoranyl)phenyl]-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-(3,4-difluorophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(3,4-difluorophenyl)amine Formula: C16H9ClF2N4O2S MolecularWeight: 394.783066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClF2N4O2S/c17-9-1-4-11(5-2-9)26-16-14(23(24)25)15(20-8-21-16)22-10-3-6-12(18)13(19)7-10/h1-8H,(H,20,21,22)