ethyl 4-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-3-oxo-butanoate CAS Name: 4-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]-3-keto-butyric acid ethyl ester Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=NC(=C1C#N)SC)N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=NC(=C1C#N)SC)N

InChI

InChI=1S/C12H14N4O3S2/c1-3-19-9(18)4-7(17)6-21-11-8(5-13)10(20-2)15-12(14)16-11/h3-4,6H2,1-2H3,(H2,14,15,16)