2-azanyl-4-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]sulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile; ethyl 2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: 2-azanyl-4-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]sulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile; ethyl 2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: 2-amino-4-[(1E)-1-[ethoxy(hydroxy)methylene]-2-oxo-propyl]sulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile; ethyl 2-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-3-oxo-butanoate CAS Name: 2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]-3-oxobutanoic acid ethyl ester; 2-amino-4-[[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]thio]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile; ethyl 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[[(E)-1-acetyl-2-ethoxy-2-hydroxy-vinyl]thio]-2-amino-6-(methylthio)pyrimidine-5-carbonitrile; 2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]-3-keto-butyric acid ethyl ester Formula: C24H28N8O6S4 MolecularWeight: 652.78912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NC(=NC(=C1C#N)SC)N.CCOC(=C(C(=O)C)SC1=C(C(=NC(=N1)N)SC)C#N)O

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NC(=NC(=C1C#N)SC)N.CCO/C(=C(\C(=O)C)/SC1=C(C(=NC(=N1)N)SC)C#N)/O

InChI

InChI=1S/2C12H14N4O3S2/c2*1-4-19-11(18)8(6(2)17)21-10-7(5-13)9(20-3)15-12(14)16-10/h18H,4H2,1-3H3,(H2,14,15,16);8H,4H2,1-3H3,(H2,14,15,16)/b11-8+;