methyl 7-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]heptanoate

Systemtic Name: methyl 7-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]heptanoate Openeye Name: methyl 7-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]heptanoate CAS Name: 7-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]heptanoate Traditional Name: 7-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]enanthic acid methyl ester Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C18H29N3O3S/c1-13-15(14(2)21-18(20-13)25-4)10-11-16(22)19-12-8-6-5-7-9-17(23)24-3/h5-12H2,1-4H3,(H,19,22)