1-ethyl-3-[6-fluoranyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[6-fluoranyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[6-fluoro-5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[6-fluoro-5-[2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[6-fluoro-5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[6-fluoro-5-[2-(4-methylpiperazino)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea Formula: C19H22FN7OS MolecularWeight: 415.487683

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C=C(C(=C2)C3=CN=C(N=C3)N4CCN(CC4)C)F

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C=C(C(=C2)C3=CN=C(N=C3)N4CCN(CC4)C)F

InChI

InChI=1S/C19H22FN7OS/c1-3-21-18(28)25-19-24-15-8-13(14(20)9-16(15)29-19)12-10-22-17(23-11-12)27-6-4-26(2)5-7-27/h8-11H,3-7H2,1-2H3,(H2,21,24,25,28)