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

Systemtic Name: propan-2-yl 2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: isopropyl 2-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]acetic acid isopropyl ester Formula: C11H14N4O2S2 MolecularWeight: 298.38446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NC(=NC(=C1C#N)SC)N

Isomeric SMILES

CC(C)OC(=O)CSC1=NC(=NC(=C1C#N)SC)N

InChI

InChI=1S/C11H14N4O2S2/c1-6(2)17-8(16)5-19-10-7(4-12)9(18-3)14-11(13)15-10/h6H,5H2,1-3H3,(H2,13,14,15)