(4-methoxyphenyl) 2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxylate

Systemtic Name: (4-methoxyphenyl) 2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxylate Openeye Name: (4-methoxyphenyl) 2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(2-furylmethyl)amino]pyrimidine-4-carboxylate CAS Name: 2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(2-furanylmethyl)amino]-4-pyrimidinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxylate Traditional Name: 2-esyl-5-[(4-fluorobenzyl)-(2-furfuryl)amino]pyrimidine-4-carboxylic acid (4-methoxyphenyl) ester Formula: C26H24FN3O6S MolecularWeight: 525.548663

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=C(C=C2)OC)N(CC3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=C(C=C2)OC)N(CC3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C26H24FN3O6S/c1-3-37(32,33)26-28-15-23(24(29-26)25(31)36-21-12-10-20(34-2)11-13-21)30(17-22-5-4-14-35-22)16-18-6-8-19(27)9-7-18/h4-15H,3,16-17H2,1-2H3