ethyl 4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C24H25N3O3S/c1-4-21(23(28)27-19-13-11-18(12-14-19)24(29)30-5-2)31-22-15-20(25-16(3)26-22)17-9-7-6-8-10-17/h6-15,21H,4-5H2,1-3H3,(H,27,28)