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

Systemtic Name: 1-ethyl-3-[4-fluoranyl-7-(3-fluoranylpyridin-2-yl)-5-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[4-fluoro-7-(3-fluoro-2-pyridyl)-5-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[4-fluoro-7-(3-fluoro-2-pyridinyl)-5-[2-(1-piperazinyl)-5-pyrimidinyl]-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[4-fluoro-7-(3-fluoropyridin-2-yl)-5-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[4-fluoro-7-(3-fluoro-2-pyridyl)-5-(2-piperazinopyrimidin-5-yl)-1,3-benzothiazol-2-yl]urea Formula: C23H22F2N8OS MolecularWeight: 496.535586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22F2N8OS/c1-2-27-22(34)32-23-31-19-17(25)14(10-15(20(19)35-23)18-16(24)4-3-5-28-18)13-11-29-21(30-12-13)33-8-6-26-7-9-33/h3-5,10-12,26H,2,6-9H2,1H3,(H2,27,31,32,34)