2-[3-(cyanomethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[3-(cyanomethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylpropanoic acid Openeye Name: 2-[3-(cyanomethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[3-(cyanomethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]propanoic acid IUPAC Name: 2-[3-(cyanomethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[3-(cyanomethyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]propionic acid Formula: C11H9N3O3S2 MolecularWeight: 295.33746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=C(C(=O)N1CC#N)SC=C2

Isomeric SMILES

CC(C(=O)O)SC1=NC2=C(C(=O)N1CC#N)SC=C2

InChI

InChI=1S/C11H9N3O3S2/c1-6(10(16)17)19-11-13-7-2-5-18-8(7)9(15)14(11)4-3-12/h2,5-6H,4H2,1H3,(H,16,17)