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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

InChI

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