butyl 4-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2,6-dimethylpyrimidin-4-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2)C)C

InChI

InChI=1S/C19H23N3O3S/c1-4-5-10-25-19(24)15-6-8-16(9-7-15)22-17(23)12-26-18-11-13(2)20-14(3)21-18/h6-9,11H,4-5,10,12H2,1-3H3,(H,22,23)