N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-phenylethynyl)pyrimidin-4-amine

Systemtic Name: N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-phenylethynyl)pyrimidin-4-amine Openeye Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-phenylethynyl)pyrimidin-4-amine CAS Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-phenylethynyl)-4-pyrimidinamine IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-phenylethynyl)pyrimidin-4-amine Traditional Name: [3-chloro-4-(3-fluorobenzyl)oxy-phenyl]-[5-(2-phenylethynyl)pyrimidin-4-yl]amine Formula: C25H17ClFN3O MolecularWeight: 429.873383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

InChI

InChI=1S/C25H17ClFN3O/c26-23-14-22(11-12-24(23)31-16-19-7-4-8-21(27)13-19)30-25-20(15-28-17-29-25)10-9-18-5-2-1-3-6-18/h1-8,11-15,17H,16H2,(H,28,29,30)