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

Systemtic Name: 3-[6-azanyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-5-methoxy-benzenecarbonitrile Openeye Name: 3-[6-amino-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-5-methoxy-benzonitrile CAS Name: 3-[[6-amino-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-4-pyrimidinyl]oxy]-5-methoxybenzonitrile IUPAC Name: 3-[6-amino-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitropyrimidin-4-yl]oxy-5-methoxybenzonitrile Traditional Name: 3-[6-amino-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-5-methoxy-benzonitrile Formula: C22H19N7O5 MolecularWeight: 461.43016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N7O5/c1-28-7-6-25-20(28)14-4-3-5-15(10-14)34-22-26-19(24)18(29(30)31)21(27-22)33-17-9-13(12-23)8-16(11-17)32-2/h3-5,8-11H,6-7H2,1-2H3,(H2,24,26,27)