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

Systemtic Name: 2-[3-(cyanomethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(cyanomethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(cyanomethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-(cyanomethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(cyanomethyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]acetic acid Formula: C10H7N3O3S2 MolecularWeight: 281.31088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7N3O3S2/c11-2-3-13-9(16)8-6(1-4-17-8)12-10(13)18-5-7(14)15/h1,4H,3,5H2,(H,14,15)