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

Systemtic Name: methyl 4-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl-methyl-amino]methyl]benzoate CAS Name: 4-[[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl-methylamino]methyl]benzoate Traditional Name: 4-[[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N(C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N(C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H25N3O3S/c1-13-17(14(2)22-20(21-13)27-5)10-11-18(24)23(3)12-15-6-8-16(9-7-15)19(25)26-4/h6-9H,10-12H2,1-5H3