N-ethyl-3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-benzamide

Systemtic Name: N-ethyl-3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-benzamide Openeye Name: N-ethyl-3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-benzamide CAS Name: N-ethyl-3-[[1-(2-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-4-methylbenzamide IUPAC Name: N-ethyl-3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylbenzamide Traditional Name: N-ethyl-3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-benzamide Formula: C21H19FN6O MolecularWeight: 390.413563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)C)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4F

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)C)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4F

InChI

InChI=1S/C21H19FN6O/c1-3-23-21(29)14-9-8-13(2)17(10-14)27-19-15-11-26-28(20(15)25-12-24-19)18-7-5-4-6-16(18)22/h4-12H,3H2,1-2H3,(H,23,29)(H,24,25,27)