[1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-13(2)22(29)26-18-9-7-17(8-10-18)21(28)16(5)30-20(27)12-11-19-14(3)24-23(31-6)25-15(19)4/h7-10,13,16H,11-12H2,1-6H3,(H,26,29)