5-[(3-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-(4-fluorophenyl)pyrimidine-4-carboxamide

Systemtic Name: 5-[(3-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-(4-fluorophenyl)pyrimidine-4-carboxamide Openeye Name: 5-[(3-chlorophenyl)methyl-(2-furylmethyl)amino]-2-ethylsulfonyl-N-(4-fluorophenyl)pyrimidine-4-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl-(2-furanylmethyl)amino]-2-ethylsulfonyl-N-(4-fluorophenyl)-4-pyrimidinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-ethylsulfonyl-N-(4-fluorophenyl)pyrimidine-4-carboxamide Traditional Name: 5-[(3-chlorobenzyl)-(2-furfuryl)amino]-2-esyl-N-(4-fluorophenyl)pyrimidine-4-carboxamide Formula: C25H22ClFN4O4S MolecularWeight: 528.982983

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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)Cl)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)Cl)CC4=CC=CO4

InChI

InChI=1S/C25H22ClFN4O4S/c1-2-36(33,34)25-28-14-22(23(30-25)24(32)29-20-10-8-19(27)9-11-20)31(16-21-7-4-12-35-21)15-17-5-3-6-18(26)13-17/h3-14H,2,15-16H2,1H3,(H,29,32)