7-fluoranyl-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

Systemtic Name: 7-fluoranyl-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-7-fluoro-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine CAS Name: 7-fluoro-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-N-(4-phenylmethoxyphenyl)-4-quinazolinamine IUPAC Name: 7-fluoro-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Traditional Name: [5-[4-(4-benzoxyanilino)-7-fluoro-quinazolin-6-yl]-2-furyl]methyl-(2-mesylethyl)amine Formula: C29H27FN4O4S MolecularWeight: 546.612483

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CC=C(O1)C2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=C(C=C4)OCC5=CC=CC=C5)F

Isomeric SMILES

CS(=O)(=O)CCNCC1=CC=C(O1)C2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=C(C=C4)OCC5=CC=CC=C5)F

InChI

InChI=1S/C29H27FN4O4S/c1-39(35,36)14-13-31-17-23-11-12-28(38-23)24-15-25-27(16-26(24)30)32-19-33-29(25)34-21-7-9-22(10-8-21)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34)