ethyl 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]butanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C17H22N4O3S2/c1-6-12(25-16-18-9(3)8-10(4)19-16)14(22)21-17-20-11(5)13(26-17)15(23)24-7-2/h8,12H,6-7H2,1-5H3,(H,20,21,22)