2-ethylsulfonyl-N-(4-fluorophenyl)-5-[furan-2-ylmethyl-(phenylmethyl)amino]pyrimidine-4-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(4-fluorophenyl)-5-[furan-2-ylmethyl-(phenylmethyl)amino]pyrimidine-4-carboxamide Openeye Name: 5-[benzyl(2-furylmethyl)amino]-2-ethylsulfonyl-N-(4-fluorophenyl)pyrimidine-4-carboxamide CAS Name: 2-ethylsulfonyl-N-(4-fluorophenyl)-5-[2-furanylmethyl-(phenylmethyl)amino]-4-pyrimidinecarboxamide IUPAC Name: 5-[benzyl(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-(4-fluorophenyl)pyrimidine-4-carboxamide Traditional Name: 5-[benzyl(2-furfuryl)amino]-2-esyl-N-(4-fluorophenyl)pyrimidine-4-carboxamide Formula: C25H23FN4O4S MolecularWeight: 494.537923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)F)N(CC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)F)N(CC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C25H23FN4O4S/c1-2-35(32,33)25-27-15-22(23(29-25)24(31)28-20-12-10-19(26)11-13-20)30(17-21-9-6-14-34-21)16-18-7-4-3-5-8-18/h3-15H,2,16-17H2,1H3,(H,28,31)