[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C14H16N4O3S MolecularWeight: 320.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)[C@H](C#N)C(=N)C)C

InChI

InChI=1S/C14H16N4O3S/c1-8-4-9(2)18-14(17-8)22-7-13(20)21-6-12(19)11(5-15)10(3)16/h4,11,16H,6-7H2,1-3H3/t11-/m1/s1