N-[3-fluoranyl-4-(isoquinolin-5-ylmethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

Systemtic Name: N-[3-fluoranyl-4-(isoquinolin-5-ylmethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine Openeye Name: N-[3-fluoro-4-(5-isoquinolylmethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine CAS Name: N-[3-fluoro-4-(5-isoquinolinylmethyl)phenyl]-4-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: N-[3-fluoro-4-(isoquinolin-5-ylmethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine Traditional Name: [3-fluoro-4-(5-isoquinolylmethyl)phenyl]-[4-(trifluoromethyl)pyrimidin-2-yl]amine Formula: C21H14F4N4 MolecularWeight: 398.356273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)CC3=C(C=C(C=C3)NC4=NC=CC(=N4)C(F)(F)F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)CC3=C(C=C(C=C3)NC4=NC=CC(=N4)C(F)(F)F)F

InChI

InChI=1S/C21H14F4N4/c22-18-11-16(28-20-27-9-7-19(29-20)21(23,24)25)5-4-14(18)10-13-2-1-3-15-12-26-8-6-17(13)15/h1-9,11-12H,10H2,(H,27,28,29)