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

Systemtic Name: ethyl (E)-2-cyano-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[(4,6-dimethoxy-2-pyrimidinyl)amino]-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-(methylthio)acrylic acid ethyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4S/c1-5-21-12(18)8(7-14)11(22-4)17-13-15-9(19-2)6-10(16-13)20-3/h6H,5H2,1-4H3,(H,15,16,17)/b11-8+