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

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-1-methyl-3-(5-methylisoxazol-3-yl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-1-methyl-3-(5-methyl-3-isoxazolyl)urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-1-methyl-3-(5-methylisoxazol-3-yl)urea Formula: C18H16N6O2 MolecularWeight: 348.35864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N(C)C2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N(C)C2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C18H16N6O2/c1-12-8-16(23-26-12)22-18(25)24(2)15-5-3-4-13(9-15)6-7-14-10-20-17(19)21-11-14/h3-5,8-11H,1-2H3,(H2,19,20,21)(H,22,23,25)