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

Systemtic Name: 3-(4-oxidanylidene-2-pyridin-2-yl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: 3-[4-oxo-2-(2-pyridyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[4-oxo-2-(2-pyridinyl)-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-(4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-[4-keto-2-(2-pyridyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CCC(=O)O

InChI

InChI=1S/C18H13N3O3S2/c22-14(23)6-8-21-16(12-4-1-2-7-19-12)20-17-15(18(21)24)11(10-26-17)13-5-3-9-25-13/h1-5,7,9-10H,6,8H2,(H,22,23)