butyl 4-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=N2)C)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=N2)C)C)C

InChI

InChI=1S/C20H25N3O3S/c1-5-6-11-26-19(25)16-7-9-17(10-8-16)23-18(24)12-27-20-21-14(3)13(2)15(4)22-20/h7-10H,5-6,11-12H2,1-4H3,(H,23,24)