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

Systemtic Name: 3-[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(4-methoxyanilino)-2-oxo-1-phenyl-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-(p-anisidino)-1-phenyl-ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC)CCC(=O)O

InChI

InChI=1S/C23H23N3O5S/c1-14-18(12-13-19(27)28)21(29)26-23(24-14)32-20(15-6-4-3-5-7-15)22(30)25-16-8-10-17(31-2)11-9-16/h3-11,20H,12-13H2,1-2H3,(H,25,30)(H,27,28)(H,24,26,29)