3-[6-methyl-2-[2-[(2-nitro-5-propylsulfanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-2-[2-[(2-nitro-5-propylsulfanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[2-(2-nitro-5-propylsulfanyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[[2-[2-nitro-5-(propylthio)anilino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-2-[2-(2-nitro-5-propylsulfanylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-[2-nitro-5-(propylthio)anilino]ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C19H22N4O6S2 MolecularWeight: 466.53118

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O

InChI

InChI=1S/C19H22N4O6S2/c1-3-8-30-12-4-6-15(23(28)29)14(9-12)21-16(24)10-31-19-20-11(2)13(18(27)22-19)5-7-17(25)26/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,21,24)(H,25,26)(H,20,22,27)