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

Systemtic Name: ethyl 1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[3-(1,3-dioxoisoindolin-2-yl)propyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[3-(1,3-dioxo-2-isoindolyl)propyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 6-keto-2-(methylthio)-1-(3-phthalimidopropyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CCCN2C(=O)C3=CC=CC=C3C2=O)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CCCN2C(=O)C3=CC=CC=C3C2=O)SC

InChI

InChI=1S/C19H19N3O5S/c1-3-27-18(26)14-11-20-19(28-2)22(17(14)25)10-6-9-21-15(23)12-7-4-5-8-13(12)16(21)24/h4-5,7-8,11H,3,6,9-10H2,1-2H3