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

Systemtic Name: 1-[4-[2-(2-azanylpyrimidin-5-yl)ethynyl]-3-methyl-phenyl]-3-(3-fluorophenyl)urea Openeye Name: 1-[4-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-methyl-phenyl]-3-(3-fluorophenyl)urea CAS Name: 1-[4-[2-(2-amino-5-pyrimidinyl)ethynyl]-3-methylphenyl]-3-(3-fluorophenyl)urea IUPAC Name: 1-[4-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-methylphenyl]-3-(3-fluorophenyl)urea Traditional Name: 1-[4-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-methyl-phenyl]-3-(3-fluorophenyl)urea Formula: C20H16FN5O MolecularWeight: 361.372343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NC2=CC(=CC=C2)F)C#CC3=CN=C(N=C3)N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NC2=CC(=CC=C2)F)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C20H16FN5O/c1-13-9-18(26-20(27)25-17-4-2-3-16(21)10-17)8-7-15(13)6-5-14-11-23-19(22)24-12-14/h2-4,7-12H,1H3,(H2,22,23,24)(H2,25,26,27)