6-azanyl-2-[6-[5-cyano-2-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-hexanoic acid

Systemtic Name: 6-azanyl-2-[6-[5-cyano-2-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-hexanoic acid Openeye Name: 6-amino-2-[6-[5-cyano-2-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-hexanoic acid CAS Name: 6-amino-2-[[6-[5-cyano-2-(dimethylamino)phenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]hexanoic acid IUPAC Name: 6-amino-2-[6-[5-cyano-2-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxyhexanoic acid Traditional Name: 6-amino-2-[6-[5-cyano-2-(dimethylamino)phenoxy]-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-hexanoic acid Formula: C20H24N6O6S MolecularWeight: 476.50616

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C#N)OC2=C(C(=NC(=N2)SC)OC(CCCCN)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C#N)OC2=C(C(=NC(=N2)SC)OC(CCCCN)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O6S/c1-25(2)13-8-7-12(11-22)10-15(13)32-18-16(26(29)30)17(23-20(24-18)33-3)31-14(19(27)28)6-4-5-9-21/h7-8,10,14H,4-6,9,21H2,1-3H3,(H,27,28)