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

Systemtic Name: 3-[6-methyl-2-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[2-(4-methylsulfonylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[[2-(4-methylsulfonylanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-2-[2-(4-methylsulfonylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-(4-mesylanilino)ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C17H19N3O6S2 MolecularWeight: 425.47926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C)CCC(=O)O

InChI

InChI=1S/C17H19N3O6S2/c1-10-13(7-8-15(22)23)16(24)20-17(18-10)27-9-14(21)19-11-3-5-12(6-4-11)28(2,25)26/h3-6H,7-9H2,1-2H3,(H,19,21)(H,22,23)(H,18,20,24)