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

Systemtic Name: 3-[2-[2-[(2,5-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(2,5-diethoxyanilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(2,5-diethoxyanilino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O

InChI

InChI=1S/C20H25N3O6S/c1-4-28-13-6-8-16(29-5-2)15(10-13)22-17(24)11-30-20-21-12(3)14(19(27)23-20)7-9-18(25)26/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,22,24)(H,25,26)(H,21,23,27)