N4-[(4-fluoranyl-3-methyl-phenyl)methyl]-N6-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide

Systemtic Name: N4-[(4-fluoranyl-3-methyl-phenyl)methyl]-N6-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-[(4-fluoro-3-methyl-phenyl)methyl]-N6-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-[(4-fluoro-3-methylphenyl)methyl]-N6-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-[(4-fluoro-3-methylphenyl)methyl]-6-N-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-N'-(4-mesylbenzyl)pyrimidine-4,6-dicarboxamide Formula: C22H21FN4O4S MolecularWeight: 456.489943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C22H21FN4O4S/c1-14-9-16(5-8-18(14)23)12-25-22(29)20-10-19(26-13-27-20)21(28)24-11-15-3-6-17(7-4-15)32(2,30)31/h3-10,13H,11-12H2,1-2H3,(H,24,28)(H,25,29)