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

Systemtic Name: methyl 2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate CAS Name: 2-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-3-phenylpropanoate Traditional Name: 2-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]-3-phenyl-propionic 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)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-13-16(14(2)22-20(21-13)27-4)10-11-18(24)23-17(19(25)26-3)12-15-8-6-5-7-9-15/h5-9,17H,10-12H2,1-4H3,(H,23,24)