(3-morpholin-4-ylsulfonylphenyl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(2-furyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(2-furanyl)-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(2-furyl)-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H23N3O6S2/c1-15-19(21(32-2)24-20(23-15)18-7-4-10-30-18)22(26)31-14-16-5-3-6-17(13-16)33(27,28)25-8-11-29-12-9-25/h3-7,10,13H,8-9,11-12,14H2,1-2H3