1-[3-[2-(6-azanylpyridin-3-yl)ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea

Systemtic Name: 1-[3-[2-(6-azanylpyridin-3-yl)ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea Openeye Name: 1-[3-[2-(6-amino-3-pyridyl)ethynyl]phenyl]-3-(5-tert-butylisoxazol-3-yl)urea CAS Name: 1-[3-[2-(6-amino-3-pyridinyl)ethynyl]phenyl]-3-(5-tert-butyl-3-isoxazolyl)urea IUPAC Name: 1-[3-[2-(6-aminopyridin-3-yl)ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea Traditional Name: 1-[3-[2-(6-amino-3-pyridyl)ethynyl]phenyl]-3-(5-tert-butylisoxazol-3-yl)urea Formula: C21H21N5O2 MolecularWeight: 375.42374

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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(C=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2/c1-21(2,3)17-12-19(26-28-17)25-20(27)24-16-6-4-5-14(11-16)7-8-15-9-10-18(22)23-13-15/h4-6,9-13H,1-3H3,(H2,22,23)(H2,24,25,26,27)