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

Systemtic Name: 3-[6-methyl-2-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[2-(N-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-2-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-(N-methyl-4-nitro-anilino)ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C17H18N4O6S MolecularWeight: 406.41302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)O

InChI

InChI=1S/C17H18N4O6S/c1-10-13(7-8-15(23)24)16(25)19-17(18-10)28-9-14(22)20(2)11-3-5-12(6-4-11)21(26)27/h3-6H,7-9H2,1-2H3,(H,23,24)(H,18,19,25)