5-fluoranyl-4-oxidanylidene-3-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[1-oxo-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]valeric acid Formula: C13H12FN3O5S MolecularWeight: 341.314883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC2=C1C(=O)N(C=N2)CC(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

C1=CSC2=C1C(=O)N(C=N2)CC(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C13H12FN3O5S/c14-4-9(18)8(3-11(20)21)16-10(19)5-17-6-15-12-7(13(17)22)1-2-23-12/h1-2,6,8H,3-5H2,(H,16,19)(H,20,21)