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

Systemtic Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[2-[2-(3-piperidin-1-ylpropylamino)pyrimidin-5-yl]ethynyl]phenyl]urea Openeye Name: 1-(5-tert-butylisoxazol-3-yl)-3-[3-[2-[2-[3-(1-piperidyl)propylamino]pyrimidin-5-yl]ethynyl]phenyl]urea CAS Name: 1-(5-tert-butyl-3-isoxazolyl)-3-[3-[2-[2-[3-(1-piperidinyl)propylamino]-5-pyrimidinyl]ethynyl]phenyl]urea IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[2-[2-(3-piperidin-1-ylpropylamino)pyrimidin-5-yl]ethynyl]phenyl]urea Traditional Name: 1-(5-tert-butylisoxazol-3-yl)-3-[3-[2-[2-(3-piperidinopropylamino)pyrimidin-5-yl]ethynyl]phenyl]urea Formula: C28H35N7O2 MolecularWeight: 501.6232

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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)NCCCN4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)NCCCN4CCCCC4

InChI

InChI=1S/C28H35N7O2/c1-28(2,3)24-18-25(34-37-24)33-27(36)32-23-10-7-9-21(17-23)11-12-22-19-30-26(31-20-22)29-13-8-16-35-14-5-4-6-15-35/h7,9-10,17-20H,4-6,8,13-16H2,1-3H3,(H,29,30,31)(H2,32,33,34,36)