4-fluoranyl-4-methyl-1-(2-methylphenyl)-8-(methylsulfanylmethoxy)-2-quinazolin-2-yl-3H-isoquinolin-1-amine

Systemtic Name: 4-fluoranyl-4-methyl-1-(2-methylphenyl)-8-(methylsulfanylmethoxy)-2-quinazolin-2-yl-3H-isoquinolin-1-amine Openeye Name: 4-fluoro-4-methyl-8-(methylsulfanylmethoxy)-1-(o-tolyl)-2-quinazolin-2-yl-3H-isoquinolin-1-amine CAS Name: 4-fluoro-4-methyl-1-(2-methylphenyl)-8-[(methylthio)methoxy]-2-(2-quinazolinyl)-3H-isoquinolin-1-amine IUPAC Name: 4-fluoro-4-methyl-1-(2-methylphenyl)-8-(methylsulfanylmethoxy)-2-quinazolin-2-yl-3H-isoquinolin-1-amine Traditional Name: [4-fluoro-4-methyl-8-[(methylthio)methoxy]-1-(o-tolyl)-2-quinazolin-2-yl-3H-isoquinolin-1-yl]amine Formula: C27H27FN4OS MolecularWeight: 474.592883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(C3=C(C=CC=C3OCSC)C(CN2C4=NC5=CC=CC=C5C=N4)(C)F)N

Isomeric SMILES

CC1=CC=CC=C1C2(C3=C(C=CC=C3OCSC)C(CN2C4=NC5=CC=CC=C5C=N4)(C)F)N

InChI

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