N-(4-fluoranyl-2-methyl-phenyl)-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-8-(methylsulfanylmethoxy)quinazolin-2-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CCN1C3=NC(=NC4=C3C=CC=C4OCSC)NC5=C(C=C(C=C5)F)C

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C3=NC(=NC4=C3C=CC=C4OCSC)NC5=C(C=C(C=C5)F)C

InChI

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