5-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-[(4-tert-butylphenyl)methyl-(2-furylmethyl)amino]-N-(4-fluorophenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-[(4-tert-butylphenyl)methyl-(2-furanylmethyl)amino]-N-(4-fluorophenyl)-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-[(4-tert-butylbenzyl)-(2-furfuryl)amino]-N-(4-fluorophenyl)-2-mesyl-pyrimidine-4-carboxamide Formula: C28H29FN4O4S MolecularWeight: 536.617663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CN=C(N=C3C(=O)NC4=CC=C(C=C4)F)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CN=C(N=C3C(=O)NC4=CC=C(C=C4)F)S(=O)(=O)C

InChI

InChI=1S/C28H29FN4O4S/c1-28(2,3)20-9-7-19(8-10-20)17-33(18-23-6-5-15-37-23)24-16-30-27(38(4,35)36)32-25(24)26(34)31-22-13-11-21(29)12-14-22/h5-16H,17-18H2,1-4H3,(H,31,34)