tert-butyl 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzoate

Systemtic Name: tert-butyl 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzoate Openeye Name: tert-butyl 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzoate CAS Name: 4-(4,6-dimethyl-2-pyrimidinyl)-2-mercaptobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanylbenzoate Traditional Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-mercapto-benzoic acid tert-butyl ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=C(C=C2)C(=O)OC(C)(C)C)S)C

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=C(C=C2)C(=O)OC(C)(C)C)S)C

InChI

InChI=1S/C17H20N2O2S/c1-10-8-11(2)19-15(18-10)12-6-7-13(14(22)9-12)16(20)21-17(3,4)5/h6-9,22H,1-5H3