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

Systemtic Name: 3-(4-oxidanylidene-2-pyridin-4-yl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: 3-[4-oxo-2-(4-pyridyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-(4-oxo-2-pyridin-4-yl-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl)propanoic acid IUPAC Name: 3-(4-oxo-2-pyridin-4-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-[4-keto-2-(4-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=CSC(=C1)C2=CSC3=C2C(=O)N(C(=N3)C4=CC=NC=C4)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O3S2/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)