2-[2-[[4-azanyl-6-[(3-fluorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol

Systemtic Name: 2-[2-[[4-azanyl-6-[(3-fluorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Openeye Name: 2-[2-[[4-amino-6-(3-fluoroanilino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol CAS Name: 2-[2-[[4-amino-6-(3-fluoroanilino)-5-nitro-2-pyrimidinyl]amino]ethoxy]ethanol IUPAC Name: 2-[2-[[4-amino-6-(3-fluoroanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol Traditional Name: 2-[2-[[4-amino-6-(3-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(=CC(=C1)F)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO

Isomeric SMILES

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

InChI

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