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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-ethylsulfonyl-5-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-ethylsulfonyl-5-[(3-fluorophenyl)methyl-(2-furylmethyl)amino]pyrimidine-4-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-2-ethylsulfonyl-5-[(3-fluorophenyl)methyl-(2-furanylmethyl)amino]-4-pyrimidinecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-ethylsulfonyl-5-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]pyrimidine-4-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-esyl-5-[(3-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=CC(=C(C=C2)C)Cl)N(CC3=CC(=CC=C3)F)CC4=CC=CO4

Isomeric SMILES

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

InChI

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