ethyl 2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C16H18ClN3O2S MolecularWeight: 351.85102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=CC(=N1)Cl)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=CC(=N1)Cl)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C16H18ClN3O2S/c1-4-22-15(21)9-23-16-19-13(17)8-14(20-16)18-12-7-5-6-10(2)11(12)3/h5-8H,4,9H2,1-3H3,(H,18,19,20)