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

Systemtic Name: methyl 4-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]methyl]benzoic acid methyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H23N3O3S/c1-12-16(13(2)22-19(21-12)26-4)9-10-17(23)20-11-14-5-7-15(8-6-14)18(24)25-3/h5-8H,9-11H2,1-4H3,(H,20,23)