3-[6-azanyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-phenoxy-benzenecarbonitrile

Systemtic Name: 3-[6-azanyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-phenoxy-benzenecarbonitrile Openeye Name: 3-[6-amino-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-phenoxy-benzonitrile CAS Name: 3-[[6-amino-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-4-pyrimidinyl]oxy]-4-phenoxybenzonitrile IUPAC Name: 3-[6-amino-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitropyrimidin-4-yl]oxy-4-phenoxybenzonitrile Traditional Name: 3-[6-amino-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-phenoxy-benzonitrile Formula: C27H21N7O5 MolecularWeight: 523.49954

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=N3)OC4=C(C=CC(=C4)C#N)OC5=CC=CC=C5)[N+](=O)[O-])N

Isomeric SMILES

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=N3)OC4=C(C=CC(=C4)C#N)OC5=CC=CC=C5)[N+](=O)[O-])N

InChI

InChI=1S/C27H21N7O5/c1-33-13-12-30-25(33)18-6-5-9-20(15-18)38-27-31-24(29)23(34(35)36)26(32-27)39-22-14-17(16-28)10-11-21(22)37-19-7-3-2-4-8-19/h2-11,14-15H,12-13H2,1H3,(H2,29,31,32)