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

Systemtic Name: 3-oxidanyl-2-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]butanoic acid Openeye Name: 3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butyric acid Formula: C12H13N3O5S MolecularWeight: 311.31372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5S/c1-6(16)9(12(19)20)14-8(17)4-15-5-13-10-7(11(15)18)2-3-21-10/h2-3,5-6,9,16H,4H2,1H3,(H,14,17)(H,19,20)