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

Systemtic Name: 2-[2-[[4-azanyl-6-[(2,5-dimethoxyphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Openeye Name: 2-[2-[[4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol CAS Name: 2-[2-[[4-amino-6-(2,5-dimethoxyanilino)-5-nitro-2-pyrimidinyl]amino]ethoxy]ethanol IUPAC Name: 2-[2-[[4-amino-6-(2,5-dimethoxyanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol Traditional Name: 2-[2-[[4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Formula: C16H22N6O6 MolecularWeight: 394.38248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO

InChI

InChI=1S/C16H22N6O6/c1-26-10-3-4-12(27-2)11(9-10)19-15-13(22(24)25)14(17)20-16(21-15)18-5-7-28-8-6-23/h3-4,9,23H,5-8H2,1-2H3,(H4,17,18,19,20,21)