1-ethyl-3-[4-fluoranyl-5-[2-(piperidin-4-ylmethylamino)pyrimidin-5-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[4-fluoranyl-5-[2-(piperidin-4-ylmethylamino)pyrimidin-5-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[4-fluoro-5-[2-(4-piperidylmethylamino)pyrimidin-5-yl]-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[4-fluoro-5-[2-(4-piperidinylmethylamino)-5-pyrimidinyl]-7-(2-pyridinyl)-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[4-fluoro-5-[2-(piperidin-4-ylmethylamino)pyrimidin-5-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[4-fluoro-5-[2-(4-piperidylmethylamino)pyrimidin-5-yl]-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea Formula: C25H27FN8OS MolecularWeight: 506.598283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C(=CC(=C2S1)C3=CC=CC=N3)C4=CN=C(N=C4)NCC5CCNCC5)F

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C(=CC(=C2S1)C3=CC=CC=N3)C4=CN=C(N=C4)NCC5CCNCC5)F

InChI

InChI=1S/C25H27FN8OS/c1-2-28-24(35)34-25-33-21-20(26)17(11-18(22(21)36-25)19-5-3-4-8-29-19)16-13-31-23(32-14-16)30-12-15-6-9-27-10-7-15/h3-5,8,11,13-15,27H,2,6-7,9-10,12H2,1H3,(H,30,31,32)(H2,28,33,34,35)