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

Systemtic Name: N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-pyridin-3-ylethynyl)pyrimidin-4-amine Openeye Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[2-(3-pyridyl)ethynyl]pyrimidin-4-amine CAS Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[2-(3-pyridinyl)ethynyl]-4-pyrimidinamine IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-pyridin-3-ylethynyl)pyrimidin-4-amine Traditional Name: [3-chloro-4-(3-fluorobenzyl)oxy-phenyl]-[5-[2-(3-pyridyl)ethynyl]pyrimidin-4-yl]amine Formula: C24H16ClFN4O MolecularWeight: 430.861443

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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=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H16ClFN4O/c25-22-12-21(8-9-23(22)31-15-18-3-1-5-20(26)11-18)30-24-19(14-28-16-29-24)7-6-17-4-2-10-27-13-17/h1-5,8-14,16H,15H2,(H,28,29,30)