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

Systemtic Name: ethyl 4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-2-(furan-2-yl)-6-methyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]-2-(2-furyl)-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[(1,3-dioxo-2-isoindolyl)methylthio]-2-(2-furanyl)-6-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]-2-(furan-2-yl)-6-methylpyrimidine-5-carboxylate Traditional Name: 2-(2-furyl)-4-methyl-6-(phthalimidomethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CO4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CO4)C

InChI

InChI=1S/C21H17N3O5S/c1-3-28-21(27)16-12(2)22-17(15-9-6-10-29-15)23-18(16)30-11-24-19(25)13-7-4-5-8-14(13)20(24)26/h4-10H,3,11H2,1-2H3