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

Systemtic Name: 4-azanyl-2-[[6-[3-(4,5-dihydro-1H-imidazol-2-yl)-5-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[6-[3-(4,5-dihydro-1H-imidazol-2-yl)-5-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[6-[3-(4,5-dihydro-1H-imidazol-2-yl)-5-(dimethylamino)phenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[6-[3-(4,5-dihydro-1H-imidazol-2-yl)-5-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[6-[3-(dimethylamino)-5-(2-imidazolin-2-yl)phenoxy]-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]-4-keto-butyric acid Formula: C20H24N8O6S MolecularWeight: 504.51956

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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-])NC(CC(=O)N)C(=O)O)SC

Isomeric SMILES

CN(C)C1=CC(=CC(=C1)C2=NCCN2)OC3=NC(=NC(=C3[N+](=O)[O-])NC(CC(=O)N)C(=O)O)SC

InChI

InChI=1S/C20H24N8O6S/c1-27(2)11-6-10(16-22-4-5-23-16)7-12(8-11)34-18-15(28(32)33)17(25-20(26-18)35-3)24-13(19(30)31)9-14(21)29/h6-8,13H,4-5,9H2,1-3H3,(H2,21,29)(H,22,23)(H,30,31)(H,24,25,26)