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

Systemtic Name: N-(4-chlorophenyl)-2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxamide Openeye Name: N-(4-chlorophenyl)-2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(2-furylmethyl)amino]pyrimidine-4-carboxamide CAS Name: N-(4-chlorophenyl)-2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(2-furanylmethyl)amino]-4-pyrimidinecarboxamide IUPAC Name: N-(4-chlorophenyl)-2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxamide Traditional Name: N-(4-chlorophenyl)-2-esyl-5-[(4-fluorobenzyl)-(2-furfuryl)amino]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)Cl)N(CC3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

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

InChI

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