ethyl 1-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[4-(1,3-dioxoisoindolin-2-yl)butyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[4-(1,3-dioxo-2-isoindolyl)butyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 6-keto-2-(methylthio)-1-(4-phthalimidobutyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)SC

InChI

InChI=1S/C20H21N3O5S/c1-3-28-19(27)15-12-21-20(29-2)23(18(15)26)11-7-6-10-22-16(24)13-8-4-5-9-14(13)17(22)25/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3