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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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