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

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(5-tert-butylisoxazol-3-yl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(5-tert-butyl-3-isoxazolyl)urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(5-tert-butylisoxazol-3-yl)urea Formula: C20H20N6O2 MolecularWeight: 376.4118

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O2/c1-20(2,3)16-10-17(26-28-16)25-19(27)24-15-6-4-5-13(9-15)7-8-14-11-22-18(21)23-12-14/h4-6,9-12H,1-3H3,(H2,21,22,23)(H2,24,25,26,27)