1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(4-fluorophenyl)urea

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(4-fluorophenyl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(4-fluorophenyl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(4-fluorophenyl)urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(4-fluorophenyl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(4-fluorophenyl)urea Formula: C19H14FN5O MolecularWeight: 347.345763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14FN5O/c20-15-6-8-16(9-7-15)24-19(26)25-17-3-1-2-13(10-17)4-5-14-11-22-18(21)23-12-14/h1-3,6-12H,(H2,21,22,23)(H2,24,25,26)