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

Systemtic Name: 5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-N-(2-methylphenyl)-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-[(4-fluorophenyl)methyl-(2-furylmethyl)amino]-2-methylsulfonyl-N-(o-tolyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-fluorophenyl)methyl-(2-furanylmethyl)amino]-N-(2-methylphenyl)-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-N-(2-methylphenyl)-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-[(4-fluorobenzyl)-(2-furfuryl)amino]-2-mesyl-N-(o-tolyl)pyrimidine-4-carboxamide Formula: C25H23FN4O4S MolecularWeight: 494.537923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=NC(=NC=C2N(CC3=CC=C(C=C3)F)CC4=CC=CO4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=NC(=NC=C2N(CC3=CC=C(C=C3)F)CC4=CC=CO4)S(=O)(=O)C

InChI

InChI=1S/C25H23FN4O4S/c1-17-6-3-4-8-21(17)28-24(31)23-22(14-27-25(29-23)35(2,32)33)30(16-20-7-5-13-34-20)15-18-9-11-19(26)12-10-18/h3-14H,15-16H2,1-2H3,(H,28,31)