methyl 2-(5-chloranyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: methyl 2-(5-chloranyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: methyl 2-(5-chloro-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(5-chloro-6-methyl-2-phenyl-4-pyrimidinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-chloro-6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5-chloro-6-methyl-2-phenyl-pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C14H13ClN2O2S MolecularWeight: 308.78322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)OC)Cl

InChI

InChI=1S/C14H13ClN2O2S/c1-9-12(15)14(20-8-11(18)19-2)17-13(16-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3