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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid 4-phthalimidobutyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H25N3O4S/c1-14-16(15(2)24-22(23-14)30-3)10-11-19(26)29-13-7-6-12-25-20(27)17-8-4-5-9-18(17)21(25)28/h4-5,8-9H,6-7,10-13H2,1-3H3