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

Systemtic Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-sulfanyl-benzoate Openeye Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-sulfanyl-benzoate CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-mercaptobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-sulfanylbenzoate Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-mercapto-benzoic acid ethyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S/c1-4-20-14(19)11-5-6-12(13(21)8-11)18-15-16-9(2)7-10(3)17-15/h5-8,21H,4H2,1-3H3,(H,16,17,18)