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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(2-furylmethyl)amino]pyrimidine-4-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(2-furanylmethyl)amino]-4-pyrimidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-ethylsulfonyl-5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-esyl-5-[(4-fluorobenzyl)-(2-furfuryl)amino]pyrimidine-4-carboxamide Formula: C26H24ClFN4O4S MolecularWeight: 543.009563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClFN4O4S/c1-3-37(34,35)26-29-14-23(24(31-26)25(33)30-22-8-4-7-21(27)17(22)2)32(16-20-6-5-13-36-20)15-18-9-11-19(28)12-10-18/h4-14H,3,15-16H2,1-2H3,(H,30,33)