2-[2-(4-dimethylaminophenyl)-5-(methylsulfonylamino)-6-oxidanylidene-pyrimidin-1-yl]-N-[1,1,1-tris(fluoranyl)-4-methyl-2-oxidanylidene-pentan-3-yl]ethanamide

Systemtic Name: 2-[2-(4-dimethylaminophenyl)-5-(methylsulfonylamino)-6-oxidanylidene-pyrimidin-1-yl]-N-[1,1,1-tris(fluoranyl)-4-methyl-2-oxidanylidene-pentan-3-yl]ethanamide Openeye Name: 2-[2-(4-dimethylaminophenyl)-5-(methanesulfonamido)-6-oxo-pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)acetamide CAS Name: 2-[2-(4-dimethylaminophenyl)-5-(methanesulfonamido)-6-oxo-1-pyrimidinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide IUPAC Name: 2-[2-(4-dimethylaminophenyl)-5-(methanesulfonamido)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide Traditional Name: 2-[2-(4-dimethylaminophenyl)-6-keto-5-(methanesulfonamido)pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-keto-propyl)acetamide Formula: C21H26F3N5O5S MolecularWeight: 517.52185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=NC=C(C1=O)NS(=O)(=O)C)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=NC=C(C1=O)NS(=O)(=O)C)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C21H26F3N5O5S/c1-12(2)17(18(31)21(22,23)24)26-16(30)11-29-19(13-6-8-14(9-7-13)28(3)4)25-10-15(20(29)32)27-35(5,33)34/h6-10,12,17,27H,11H2,1-5H3,(H,26,30)