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

Systemtic Name: 2-[2-[[4-azanyl-6-[(4-ethoxyphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol Openeye Name: 2-[2-[[4-amino-6-(4-ethoxyanilino)-5-nitro-pyrimidin-2-yl]amino]ethoxy]ethanol CAS Name: 2-[2-[[4-amino-6-(4-ethoxyanilino)-5-nitro-2-pyrimidinyl]amino]ethoxy]ethanol IUPAC Name: 2-[2-[[4-amino-6-(4-ethoxyanilino)-5-nitropyrimidin-2-yl]amino]ethoxy]ethanol Traditional Name: 2-[2-[[4-amino-5-nitro-6-(p-phenetidino)pyrimidin-2-yl]amino]ethoxy]ethanol Formula: C16H22N6O5 MolecularWeight: 378.38308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCOCCO

InChI

InChI=1S/C16H22N6O5/c1-2-27-12-5-3-11(4-6-12)19-15-13(22(24)25)14(17)20-16(21-15)18-7-9-26-10-8-23/h3-6,23H,2,7-10H2,1H3,(H4,17,18,19,20,21)