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

Systemtic Name: N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-thiophen-2-ylethynyl)pyrimidin-4-amine Openeye Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[2-(2-thienyl)ethynyl]pyrimidin-4-amine CAS Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-thiophen-2-ylethynyl)-4-pyrimidinamine IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-thiophen-2-ylethynyl)pyrimidin-4-amine Traditional Name: [3-chloro-4-(3-fluorobenzyl)oxy-phenyl]-[5-[2-(2-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=CC=CS4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC=C3C#CC4=CC=CS4)Cl

InChI

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