methyl 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]heptanoate

Systemtic Name: methyl 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]heptanoate Openeye Name: methyl 7-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]heptanoate CAS Name: 7-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]heptanoate Traditional Name: 7-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]enanthic acid methyl ester Formula: C16H25N3O3S MolecularWeight: 339.453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCCCCCCC(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCCCCCCC(=O)OC)C

InChI

InChI=1S/C16H25N3O3S/c1-12-10-13(2)19-16(18-12)23-11-14(20)17-9-7-5-4-6-8-15(21)22-3/h10H,4-9,11H2,1-3H3,(H,17,20)