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

Systemtic Name: 3-[2-[1-(furan-2-ylmethylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(2-furylmethylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-[[(2-furanylmethylamino)-oxomethyl]amino]-1-oxopropan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(furan-2-ylmethylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(2-furfurylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC(=O)NCC2=CC=CO2)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC(=O)NCC2=CC=CO2)CCC(=O)O

InChI

InChI=1S/C17H20N4O6S/c1-9-12(5-6-13(22)23)15(25)21-17(19-9)28-10(2)14(24)20-16(26)18-8-11-4-3-7-27-11/h3-4,7,10H,5-6,8H2,1-2H3,(H,22,23)(H,19,21,25)(H2,18,20,24,26)