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

Systemtic Name: cyanomethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: cyanomethyl 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 cyanomethyl ester IUPAC Name: cyanomethyl 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 cyanomethyl ester Formula: C13H13N3O2S2 MolecularWeight: 307.39122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2S2/c1-7-8(2)20-13-11(7)12(15-9(3)16-13)19-6-10(17)18-5-4-14/h5-6H2,1-3H3