ethyl 3-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 3-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]benzoate CAS Name: 3-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]benzoate Traditional Name: 3-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)OCC)SC2=NC=NC(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)OCC)SC2=NC=NC(=C2)C

InChI

InChI=1S/C18H21N3O3S/c1-4-15(25-16-9-12(3)19-11-20-16)17(22)21-14-8-6-7-13(10-14)18(23)24-5-2/h6-11,15H,4-5H2,1-3H3,(H,21,22)