(phenylmethyl) 2-(6-azanyl-5-cyano-2-methylsulfanyl-pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(6-azanyl-5-cyano-2-methylsulfanyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: benzyl 2-(6-amino-5-cyano-2-methylsulfanyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[[6-amino-5-cyano-2-(methylthio)-4-pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(6-amino-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[[6-amino-5-cyano-2-(methylthio)pyrimidin-4-yl]thio]acetic acid benzyl ester Formula: C15H14N4O2S2 MolecularWeight: 346.42726

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)SCC(=O)OCC2=CC=CC=C2)C#N)N

Isomeric SMILES

CSC1=NC(=C(C(=N1)SCC(=O)OCC2=CC=CC=C2)C#N)N

InChI

InChI=1S/C15H14N4O2S2/c1-22-15-18-13(17)11(7-16)14(19-15)23-9-12(20)21-8-10-5-3-2-4-6-10/h2-6H,8-9H2,1H3,(H2,17,18,19)