4-[[2-(2-chloranyl-5-cyano-phenoxy)-6-[3-(4,5-dihydro-1H-imidazol-2-yl)-5-(dimethylamino)phenoxy]-5-nitro-pyrimidin-4-yl]amino]butanoic acid

Systemtic Name: 4-[[2-(2-chloranyl-5-cyano-phenoxy)-6-[3-(4,5-dihydro-1H-imidazol-2-yl)-5-(dimethylamino)phenoxy]-5-nitro-pyrimidin-4-yl]amino]butanoic acid Openeye Name: 4-[[2-(2-chloro-5-cyano-phenoxy)-6-[3-(4,5-dihydro-1H-imidazol-2-yl)-5-(dimethylamino)phenoxy]-5-nitro-pyrimidin-4-yl]amino]butanoic acid CAS Name: 4-[[2-(2-chloro-5-cyanophenoxy)-6-[3-(4,5-dihydro-1H-imidazol-2-yl)-5-(dimethylamino)phenoxy]-5-nitro-4-pyrimidinyl]amino]butanoic acid IUPAC Name: 4-[[2-(2-chloro-5-cyanophenoxy)-6-[3-(4,5-dihydro-1H-imidazol-2-yl)-5-(dimethylamino)phenoxy]-5-nitropyrimidin-4-yl]amino]butanoic acid Traditional Name: 4-[[2-(2-chloro-5-cyano-phenoxy)-6-[3-(dimethylamino)-5-(2-imidazolin-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]butyric acid Formula: C26H25ClN8O6 MolecularWeight: 580.9797

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=CC(=C1)C2=NCCN2)OC3=NC(=NC(=C3[N+](=O)[O-])NCCCC(=O)O)OC4=C(C=CC(=C4)C#N)Cl

Isomeric SMILES

CN(C)C1=CC(=CC(=C1)C2=NCCN2)OC3=NC(=NC(=C3[N+](=O)[O-])NCCCC(=O)O)OC4=C(C=CC(=C4)C#N)Cl

InChI

InChI=1S/C26H25ClN8O6/c1-34(2)17-11-16(23-30-8-9-31-23)12-18(13-17)40-25-22(35(38)39)24(29-7-3-4-21(36)37)32-26(33-25)41-20-10-15(14-28)5-6-19(20)27/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,30,31)(H,36,37)(H,29,32,33)