ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(methylthio)acrylic acid ethyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=NC(=CC(=N1)C)C)SC)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NC1=NC(=CC(=N1)C)C)/SC)/C#N

InChI

InChI=1S/C13H16N4O2S/c1-5-19-12(18)10(7-14)11(20-4)17-13-15-8(2)6-9(3)16-13/h6H,5H2,1-4H3,(H,15,16,17)/b11-10+