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

Systemtic Name: 3-[2-[2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(2,2-diphenylethylamino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-(2,2-diphenylethylamino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(2,2-diphenylethylamino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(2,2-diphenylethylamino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C24H25N3O4S/c1-16-19(12-13-22(29)30)23(31)27-24(26-16)32-15-21(28)25-14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,20H,12-15H2,1H3,(H,25,28)(H,29,30)(H,26,27,31)