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

Systemtic Name: 3-[5-(furan-2-yl)-4-oxidanylidene-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(2-furyl)-4-oxo-2-(4-pyridyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(2-furanyl)-4-oxo-2-pyridin-4-yl-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(furan-2-yl)-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[5-(2-furyl)-4-keto-2-(4-pyridyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CSC3=C2C(=O)N(C(=N3)C4=CC=NC=C4)CCC(=O)O

Isomeric SMILES

C1=COC(=C1)C2=CSC3=C2C(=O)N(C(=N3)C4=CC=NC=C4)CCC(=O)O

InChI

InChI=1S/C18H13N3O4S/c22-14(23)5-8-21-16(11-3-6-19-7-4-11)20-17-15(18(21)24)12(10-26-17)13-2-1-9-25-13/h1-4,6-7,9-10H,5,8H2,(H,22,23)