ethyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-benzoate

Systemtic Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-benzoate Openeye Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanyl-benzoate CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-(methylthio)benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylsulfanylbenzoate Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(methylthio)benzoic acid ethyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC2=NC(=CC(=N2)C)C)SC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC2=NC(=CC(=N2)C)C)SC

InChI

InChI=1S/C16H19N3O2S/c1-5-21-15(20)12-6-7-13(14(9-12)22-4)19-16-17-10(2)8-11(3)18-16/h6-9H,5H2,1-4H3,(H,17,18,19)