1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[2-[2-(3-imidazol-1-ylpropylamino)pyrimidin-5-yl]ethynyl]phenyl]urea

Systemtic Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[2-[2-(3-imidazol-1-ylpropylamino)pyrimidin-5-yl]ethynyl]phenyl]urea Openeye Name: 1-(5-tert-butylisoxazol-3-yl)-3-[3-[2-[2-(3-imidazol-1-ylpropylamino)pyrimidin-5-yl]ethynyl]phenyl]urea CAS Name: 1-(5-tert-butyl-3-isoxazolyl)-3-[3-[2-[2-[3-(1-imidazolyl)propylamino]-5-pyrimidinyl]ethynyl]phenyl]urea IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[2-[2-(3-imidazol-1-ylpropylamino)pyrimidin-5-yl]ethynyl]phenyl]urea Traditional Name: 1-(5-tert-butylisoxazol-3-yl)-3-[3-[2-[2-(3-imidazol-1-ylpropylamino)pyrimidin-5-yl]ethynyl]phenyl]urea Formula: C26H28N8O2 MolecularWeight: 484.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)NCCCN4C=CN=C4

Isomeric SMILES

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)NCCCN4C=CN=C4

InChI

InChI=1S/C26H28N8O2/c1-26(2,3)22-15-23(33-36-22)32-25(35)31-21-7-4-6-19(14-21)8-9-20-16-29-24(30-17-20)28-10-5-12-34-13-11-27-18-34/h4,6-7,11,13-18H,5,10,12H2,1-3H3,(H,28,29,30)(H2,31,32,33,35)