N-(4-tert-butylphenyl)-6-fluoranyl-4-(2-morpholin-4-ylpyrimidin-4-yl)isoquinolin-1-amine

Systemtic Name: N-(4-tert-butylphenyl)-6-fluoranyl-4-(2-morpholin-4-ylpyrimidin-4-yl)isoquinolin-1-amine Openeye Name: N-(4-tert-butylphenyl)-6-fluoro-4-(2-morpholinopyrimidin-4-yl)isoquinolin-1-amine CAS Name: N-(4-tert-butylphenyl)-6-fluoro-4-[2-(4-morpholinyl)-4-pyrimidinyl]-1-isoquinolinamine IUPAC Name: N-(4-tert-butylphenyl)-6-fluoro-4-(2-morpholin-4-ylpyrimidin-4-yl)isoquinolin-1-amine Traditional Name: (4-tert-butylphenyl)-[6-fluoro-4-(2-morpholinopyrimidin-4-yl)-1-isoquinolyl]amine Formula: C27H28FN5O MolecularWeight: 457.542523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NC=C(C3=C2C=CC(=C3)F)C4=NC(=NC=C4)N5CCOCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NC=C(C3=C2C=CC(=C3)F)C4=NC(=NC=C4)N5CCOCC5

InChI

InChI=1S/C27H28FN5O/c1-27(2,3)18-4-7-20(8-5-18)31-25-21-9-6-19(28)16-22(21)23(17-30-25)24-10-11-29-26(32-24)33-12-14-34-15-13-33/h4-11,16-17H,12-15H2,1-3H3,(H,30,31)