3-[[4-[ethyl(1H-indazol-4-yl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzamide

Systemtic Name: 3-[[4-[ethyl(1H-indazol-4-yl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzamide Openeye Name: 3-[[4-[ethyl(1H-indazol-4-yl)amino]-5-fluoro-pyrimidin-2-yl]amino]benzamide CAS Name: 3-[[4-[ethyl(1H-indazol-4-yl)amino]-5-fluoro-2-pyrimidinyl]amino]benzamide IUPAC Name: 3-[[4-[ethyl(1H-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl]amino]benzamide Traditional Name: 3-[[4-[ethyl(1H-indazol-4-yl)amino]-5-fluoro-pyrimidin-2-yl]amino]benzamide Formula: C20H18FN7O MolecularWeight: 391.401623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=C1C=NN2)C3=NC(=NC=C3F)NC4=CC=CC(=C4)C(=O)N

Isomeric SMILES

CCN(C1=CC=CC2=C1C=NN2)C3=NC(=NC=C3F)NC4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C20H18FN7O/c1-2-28(17-8-4-7-16-14(17)10-24-27-16)19-15(21)11-23-20(26-19)25-13-6-3-5-12(9-13)18(22)29/h3-11H,2H2,1H3,(H2,22,29)(H,24,27)(H,23,25,26)