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

Systemtic Name: 2-[3-(2-acetamidoethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(2-acetamidoethyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(2-acetamidoethyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-(2-acetamidoethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(2-acetamidoethyl)-4-keto-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid Formula: C12H13N3O4S2 MolecularWeight: 327.37932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C(=O)C2=C(N=C1SCC(=O)O)SC=C2

Isomeric SMILES

CC(=O)NCCN1C(=O)C2=C(N=C1SCC(=O)O)SC=C2

InChI

InChI=1S/C12H13N3O4S2/c1-7(16)13-3-4-15-11(19)8-2-5-20-10(8)14-12(15)21-6-9(17)18/h2,5H,3-4,6H2,1H3,(H,13,16)(H,17,18)