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

Systemtic Name: 3-methyl-2-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-3-methyl-butyric acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S/c1-7(2)10(13(19)20)15-9(17)5-16-6-14-11-8(12(16)18)3-4-21-11/h3-4,6-7,10H,5H2,1-2H3,(H,15,17)(H,19,20)