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

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-[1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-4-oxo-2-[1-oxo-1-(phenylcarbamoylamino)propan-2-yl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC(=O)NC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC(=O)NC2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C18H20N4O5S/c1-10-13(8-9-14(23)24)16(26)22-18(19-10)28-11(2)15(25)21-17(27)20-12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3,(H,23,24)(H,19,22,26)(H2,20,21,25,27)