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

Systemtic Name: 1-[5-[2-(3-azanylpyrrolidin-1-yl)pyrimidin-5-yl]-4-fluoranyl-7-pyridin-2-yl-1,3-benzothiazol-2-yl]-3-ethyl-urea Openeye Name: 1-[5-[2-(3-aminopyrrolidin-1-yl)pyrimidin-5-yl]-4-fluoro-7-(2-pyridyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[5-[2-(3-amino-1-pyrrolidinyl)-5-pyrimidinyl]-4-fluoro-7-(2-pyridinyl)-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[5-[2-(3-aminopyrrolidin-1-yl)pyrimidin-5-yl]-4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-[5-[2-(3-aminopyrrolidino)pyrimidin-5-yl]-4-fluoro-7-(2-pyridyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea Formula: C23H23FN8OS MolecularWeight: 478.545123

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)N5CCC(C5)N)F

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C(=CC(=C2S1)C3=CC=CC=N3)C4=CN=C(N=C4)N5CCC(C5)N)F

InChI

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