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

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-[1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-4-oxo-2-[[1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl]thio]-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-4-oxo-2-[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C15H22N4O5S MolecularWeight: 370.42398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC(=O)NC(C)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC(=O)NC(C)C)CCC(=O)O

InChI

InChI=1S/C15H22N4O5S/c1-7(2)16-14(24)18-12(22)9(4)25-15-17-8(3)10(13(23)19-15)5-6-11(20)21/h7,9H,5-6H2,1-4H3,(H,20,21)(H,17,19,23)(H2,16,18,22,24)