(4-fluoranyl-2-methyl-phenyl)-[4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-yl]oxy-methylsulfanyl-methanamine hydrochloride

Systemtic Name: (4-fluoranyl-2-methyl-phenyl)-[4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-yl]oxy-methylsulfanyl-methanamine hydrochloride Openeye Name: (4-fluoro-2-methyl-phenyl)-[4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-yl]oxy-methylsulfanyl-methanamine hydrochloride CAS Name: (4-fluoro-2-methylphenyl)-[[4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinazolinyl]oxy]-(methylthio)methanamine hydrochloride IUPAC Name: (4-fluoro-2-methylphenyl)-[4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-yl]oxy-methylsulfanylmethanamine hydrochloride Traditional Name: [(4-fluoro-2-methyl-phenyl)-[4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-yl]oxy-(methylthio)methyl]amine hydrochloride Formula: C27H28ClFN4OS MolecularWeight: 511.053823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CCN1C3=NC(=NC4=CC=CC=C43)OC(C5=C(C=C(C=C5)F)C)(N)SC.Cl

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C3=NC(=NC4=CC=CC=C43)OC(C5=C(C=C(C=C5)F)C)(N)SC.Cl

InChI

InChI=1S/C27H27FN4OS.ClH/c1-17-16-20(28)12-13-23(17)27(29,34-3)33-26-30-24-11-7-6-10-22(24)25(31-26)32-15-14-19-8-4-5-9-21(19)18(32)2;/h4-13,16,18H,14-15,29H2,1-3H3;1H