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

Systemtic Name: N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-thiophen-3-ylethynyl)pyrimidin-4-amine Openeye Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[2-(3-thienyl)ethynyl]pyrimidin-4-amine CAS Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[2-(3-thiophenyl)ethynyl]-4-pyrimidinamine IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-thiophen-3-ylethynyl)pyrimidin-4-amine Traditional Name: [3-chloro-4-(3-fluorobenzyl)oxy-phenyl]-[5-[2-(3-thienyl)ethynyl]pyrimidin-4-yl]amine Formula: C23H15ClFN3OS MolecularWeight: 435.901103

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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=CSC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H15ClFN3OS/c24-21-11-20(6-7-22(21)29-13-17-2-1-3-19(25)10-17)28-23-18(12-26-15-27-23)5-4-16-8-9-30-14-16/h1-3,6-12,14-15H,13H2,(H,26,27,28)