1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]ethynyl]phenyl]urea

Systemtic Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]ethynyl]phenyl]urea Openeye Name: 1-(5-tert-butylisoxazol-3-yl)-3-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]ethynyl]phenyl]urea CAS Name: 1-(5-tert-butyl-3-isoxazolyl)-3-[3-[2-[2-[3-(4-methyl-1-piperazinyl)propylamino]-5-pyrimidinyl]ethynyl]phenyl]urea IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-5-yl]ethynyl]phenyl]urea Traditional Name: 1-(5-tert-butylisoxazol-3-yl)-3-[3-[2-[2-[3-(4-methylpiperazino)propylamino]pyrimidin-5-yl]ethynyl]phenyl]urea Formula: C28H36N8O2 MolecularWeight: 516.63784

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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)NCCCN4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)NCCCN4CCN(CC4)C

InChI

InChI=1S/C28H36N8O2/c1-28(2,3)24-18-25(34-38-24)33-27(37)32-23-8-5-7-21(17-23)9-10-22-19-30-26(31-20-22)29-11-6-12-36-15-13-35(4)14-16-36/h5,7-8,17-20H,6,11-16H2,1-4H3,(H,29,30,31)(H2,32,33,34,37)