(2-azanyl-2-oxidanylidene-ethyl) 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid (2-amino-2-keto-ethyl) ester Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)OCC(=O)N)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)OCC(=O)N)C

InChI

InChI=1S/C13H15N3O3S2/c1-6-7(2)21-13-11(6)12(15-8(3)16-13)20-5-10(18)19-4-9(14)17/h4-5H2,1-3H3,(H2,14,17)