ethyl (2S)-2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanylpropanoate

Systemtic Name: ethyl (2S)-2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanylpropanoate Openeye Name: ethyl (2S)-2-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanylpropanoate CAS Name: (2S)-2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanylpropanoate Traditional Name: (2S)-2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]propionic acid ethyl ester Formula: C11H14N4O2S2 MolecularWeight: 298.38446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC(=NC(=C1C#N)SC)N

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NC(=NC(=C1C#N)SC)N

InChI

InChI=1S/C11H14N4O2S2/c1-4-17-10(16)6(2)19-9-7(5-12)8(18-3)14-11(13)15-9/h6H,4H2,1-3H3,(H2,13,14,15)/t6-/m0/s1