2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]ethanamide

Systemtic Name: 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]ethanamide Openeye Name: 2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide IUPAC Name: 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide Traditional Name: 2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide Formula: C16H14F3N5O3 MolecularWeight: 381.30927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)OCC(F)(F)F

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)OCC(F)(F)F

InChI

InChI=1S/C16H14F3N5O3/c1-23-14-12(6-21-23)15(26)24(9-20-14)7-13(25)22-10-2-4-11(5-3-10)27-8-16(17,18)19/h2-6,9H,7-8H2,1H3,(H,22,25)