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

Systemtic Name: 3-[6-azanyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-5-ethoxy-benzenecarbonitrile Openeye Name: 3-[6-amino-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-5-ethoxy-benzonitrile CAS Name: 3-[[6-amino-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-4-pyrimidinyl]oxy]-5-ethoxybenzonitrile IUPAC Name: 3-[6-amino-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitropyrimidin-4-yl]oxy-5-ethoxybenzonitrile Traditional Name: 3-[6-amino-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-5-ethoxy-benzonitrile Formula: C23H21N7O5 MolecularWeight: 475.45674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])N)OC3=CC=CC(=C3)C4=NCCN4C)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])N)OC3=CC=CC(=C3)C4=NCCN4C)C#N

InChI

InChI=1S/C23H21N7O5/c1-3-33-17-9-14(13-24)10-18(12-17)34-22-19(30(31)32)20(25)27-23(28-22)35-16-6-4-5-15(11-16)21-26-7-8-29(21)2/h4-6,9-12H,3,7-8H2,1-2H3,(H2,25,27,28)