2-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]sulfanyl-N-cyclopropyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 2-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]sulfanyl-N-cyclopropyl-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[[1-(difluoromethyl)-2-benzimidazolyl]thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-[[1-(difluoromethyl)benzimidazol-2-yl]thio]-5-nitro-pyrimidin-4-yl]amine Formula: C15H12F2N6O2S MolecularWeight: 378.356586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])SC3=NC4=CC=CC=C4N3C(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])SC3=NC4=CC=CC=C4N3C(F)F

InChI

InChI=1S/C15H12F2N6O2S/c16-13(17)22-10-4-2-1-3-9(10)20-15(22)26-14-18-7-11(23(24)25)12(21-14)19-8-5-6-8/h1-4,7-8,13H,5-6H2,(H,18,19,21)