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

Systemtic Name: N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-pyrimidin-5-ylethynyl)pyrimidin-4-amine Openeye Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-pyrimidin-5-ylethynyl)pyrimidin-4-amine CAS Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[2-(5-pyrimidinyl)ethynyl]-4-pyrimidinamine IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-pyrimidin-5-ylethynyl)pyrimidin-4-amine Traditional Name: [3-chloro-4-(3-fluorobenzyl)oxy-phenyl]-[5-[2-(5-pyrimidyl)ethynyl]pyrimidin-4-yl]amine Formula: C23H15ClFN5O MolecularWeight: 431.849503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC=C3C#CC4=CN=CN=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC=C3C#CC4=CN=CN=C4)Cl

InChI

InChI=1S/C23H15ClFN5O/c24-21-9-20(6-7-22(21)31-13-16-2-1-3-19(25)8-16)30-23-18(12-28-15-29-23)5-4-17-10-26-14-27-11-17/h1-3,6-12,14-15H,13H2,(H,28,29,30)