2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid 2-phthalimidoethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H21N3O4S/c1-12-14(13(2)22-20(21-12)28-3)8-9-17(24)27-11-10-23-18(25)15-6-4-5-7-16(15)19(23)26/h4-7H,8-11H2,1-3H3