2-[2-[[4-azanyl-6-[(2-fluorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol

Systemtic Name: 2-[2-[[4-azanyl-6-[(2-fluorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Openeye Name: 2-[2-[[4-amino-6-(2-fluoroanilino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol CAS Name: 2-[2-[[4-amino-6-(2-fluoroanilino)-5-nitro-2-pyrimidinyl]amino]ethoxy]ethanol IUPAC Name: 2-[2-[[4-amino-6-(2-fluoroanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol Traditional Name: 2-[2-[[4-amino-6-(2-fluoroanilino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Formula: C14H17FN6O4 MolecularWeight: 352.320983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO)F

Isomeric SMILES

C1=CC=C(C(=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO)F

InChI

InChI=1S/C14H17FN6O4/c15-9-3-1-2-4-10(9)18-13-11(21(23)24)12(16)19-14(20-13)17-5-7-25-8-6-22/h1-4,22H,5-8H2,(H4,16,17,18,19,20)