1-ethyl-3-[4-fluoranyl-5-(2-piperazin-1-ylpyrimidin-5-yl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[4-fluoranyl-5-(2-piperazin-1-ylpyrimidin-5-yl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[4-fluoro-5-(2-piperazin-1-ylpyrimidin-5-yl)-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[4-fluoro-5-[2-(1-piperazinyl)-5-pyrimidinyl]-7-(2-pyridinyl)-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[4-fluoro-5-(2-piperazin-1-ylpyrimidin-5-yl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[4-fluoro-5-(2-piperazinopyrimidin-5-yl)-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea Formula: C23H23FN8OS MolecularWeight: 478.545123

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C(=CC(=C2S1)C3=CC=CC=N3)C4=CN=C(N=C4)N5CCNCC5)F

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C(=CC(=C2S1)C3=CC=CC=N3)C4=CN=C(N=C4)N5CCNCC5)F

InChI

InChI=1S/C23H23FN8OS/c1-2-26-22(33)31-23-30-19-18(24)15(11-16(20(19)34-23)17-5-3-4-6-27-17)14-12-28-21(29-13-14)32-9-7-25-8-10-32/h3-6,11-13,25H,2,7-10H2,1H3,(H2,26,30,31,33)