1-[6-[2-(2-azanylpyrimidin-5-yl)ethynyl]pyrimidin-4-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea

Systemtic Name: 1-[6-[2-(2-azanylpyrimidin-5-yl)ethynyl]pyrimidin-4-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea Openeye Name: 1-[6-[2-(2-aminopyrimidin-5-yl)ethynyl]pyrimidin-4-yl]-3-(5-tert-butylisoxazol-3-yl)urea CAS Name: 1-[6-[2-(2-amino-5-pyrimidinyl)ethynyl]-4-pyrimidinyl]-3-(5-tert-butyl-3-isoxazolyl)urea IUPAC Name: 1-[6-[2-(2-aminopyrimidin-5-yl)ethynyl]pyrimidin-4-yl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea Traditional Name: 1-[6-[2-(2-aminopyrimidin-5-yl)ethynyl]pyrimidin-4-yl]-3-(5-tert-butylisoxazol-3-yl)urea Formula: C18H18N8O2 MolecularWeight: 378.38792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N8O2/c1-18(2,3)13-7-15(26-28-13)25-17(27)24-14-6-12(22-10-23-14)5-4-11-8-20-16(19)21-9-11/h6-10H,1-3H3,(H2,19,20,21)(H2,22,23,24,25,26,27)