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

Systemtic Name: N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-pyrimidin-2-ylethynyl)pyrimidin-4-amine Openeye Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-pyrimidin-2-ylethynyl)pyrimidin-4-amine CAS Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[2-(2-pyrimidinyl)ethynyl]-4-pyrimidinamine IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-pyrimidin-2-ylethynyl)pyrimidin-4-amine Traditional Name: [3-chloro-4-(3-fluorobenzyl)oxy-phenyl]-[5-[2-(2-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=NC=CC=N4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC=C3C#CC4=NC=CC=N4)Cl

InChI

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