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

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-4-oxo-2-[2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-4-oxo-2-[[2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl]thio]-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-4-oxo-2-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-(2-thenylcarbamoylamino)ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C16H18N4O5S2 MolecularWeight: 410.46792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC(=O)NCC2=CC=CS2)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC(=O)NCC2=CC=CS2)CCC(=O)O

InChI

InChI=1S/C16H18N4O5S2/c1-9-11(4-5-13(22)23)14(24)20-16(18-9)27-8-12(21)19-15(25)17-7-10-3-2-6-26-10/h2-3,6H,4-5,7-8H2,1H3,(H,22,23)(H,18,20,24)(H2,17,19,21,25)