(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O3S/c1-15-19(16(2)24-22(23-15)29-3)10-11-20(26)28-14-17-6-8-18(9-7-17)21(27)25-12-4-5-13-25/h6-9H,4-5,10-14H2,1-3H3