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

Systemtic Name: 3-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-1-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-urea Openeye Name: 3-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-1-(5-tert-butylisoxazol-3-yl)-1-methyl-urea CAS Name: 3-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-1-(5-tert-butyl-3-isoxazolyl)-1-methylurea IUPAC Name: 3-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-1-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylurea Traditional Name: 3-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-1-(5-tert-butylisoxazol-3-yl)-1-methyl-urea Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2/c1-21(2,3)17-11-18(26-29-17)27(4)20(28)25-16-7-5-6-14(10-16)8-9-15-12-23-19(22)24-13-15/h5-7,10-13H,1-4H3,(H,25,28)(H2,22,23,24)