2-[[6-(3-aminocarbonyl-4-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[[6-(3-aminocarbonyl-4-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[6-(3-carbamoyl-4-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[6-(3-carbamoyl-4-cyanophenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[6-(3-carbamoyl-4-cyanophenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[6-(3-carbamoyl-4-cyano-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]-5-keto-valeric acid Formula: C18H17N7O7S MolecularWeight: 475.43528

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OC2=CC(=C(C=C2)C#N)C(=O)N)[N+](=O)[O-])NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CSC1=NC(=C(C(=N1)OC2=CC(=C(C=C2)C#N)C(=O)N)[N+](=O)[O-])NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C18H17N7O7S/c1-33-18-23-15(22-11(17(28)29)4-5-12(20)26)13(25(30)31)16(24-18)32-9-3-2-8(7-19)10(6-9)14(21)27/h2-3,6,11H,4-5H2,1H3,(H2,20,26)(H2,21,27)(H,28,29)(H,22,23,24)