2-[4-oxidanylidene-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid

Systemtic Name: 2-[4-oxidanylidene-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 2-[4-oxo-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 2-[4-oxo-5-(4-phenylphenyl)-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 2-[4-oxo-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 2-[4-keto-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)O)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S/c1-13(21(25)26)23-12-22-19-18(20(23)24)17(11-27-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,25,26)