3-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]butanoic acid

Systemtic Name: 3-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoic acid CAS Name: 3-[[1-oxo-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]butanoic acid IUPAC Name: 3-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoic acid Traditional Name: 3-[[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butyric acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CN1C=NC2=C(C1=O)C=CS2

Isomeric SMILES

CC(CC(=O)O)NC(=O)CN1C=NC2=C(C1=O)C=CS2

InChI

InChI=1S/C12H13N3O4S/c1-7(4-10(17)18)14-9(16)5-15-6-13-11-8(12(15)19)2-3-20-11/h2-3,6-7H,4-5H2,1H3,(H,14,16)(H,17,18)