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

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

C1=CSC2=C1N=C(N(C2=O)CC#N)SCCC(=O)O

Isomeric SMILES

C1=CSC2=C1N=C(N(C2=O)CC#N)SCCC(=O)O

InChI

InChI=1S/C11H9N3O3S2/c12-3-4-14-10(17)9-7(1-5-18-9)13-11(14)19-6-2-8(15)16/h1,5H,2,4,6H2,(H,15,16)