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

Systemtic Name: 3-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)propanoic acid Openeye Name: 3-[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]propanoic acid CAS Name: 3-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)propanoic acid IUPAC Name: 3-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)propanoic acid Traditional Name: 3-[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]propionic acid Formula: C13H10N2O3S2 MolecularWeight: 306.3601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)CCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)CCC(=O)O

InChI

InChI=1S/C13H10N2O3S2/c16-10(17)4-3-9-14-12(18)11-7(6-20-13(11)15-9)8-2-1-5-19-8/h1-2,5-6H,3-4H2,(H,16,17)(H,14,15,18)