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

Systemtic Name: methyl 4-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C11H12N4O3S2 MolecularWeight: 312.36798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O3S2/c1-18-8(17)3-6(16)5-20-10-7(4-12)9(19-2)14-11(13)15-10/h3,5H2,1-2H3,(H2,13,14,15)