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

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

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC4=C3C(=O)N(C=N4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC4=C3C(=O)N(C=N4)CCC(=O)O

InChI

InChI=1S/C21H16N2O3S/c24-18(25)10-11-23-13-22-20-19(21(23)26)17(12-27-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,24,25)