[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)OCC(=O)[C@@H](C#N)C(=N)C)C

InChI

InChI=1S/C16H16N4O3S2/c1-8-10(3)25-16-14(8)15(19-7-20-16)24-6-13(22)23-5-12(21)11(4-17)9(2)18/h7,11,18H,5-6H2,1-3H3/t11-/m0/s1