N-(3-fluoranyl-4-phenylmethoxy-phenyl)-6-(furan-3-yl)-5-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine

Systemtic Name: N-(3-fluoranyl-4-phenylmethoxy-phenyl)-6-(furan-3-yl)-5-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine Openeye Name: N-(4-benzyloxy-3-fluoro-phenyl)-6-(3-furyl)-5-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine CAS Name: N-(3-fluoro-4-phenylmethoxyphenyl)-6-(3-furanyl)-5-[(2-methylsulfonylethylamino)methyl]-4-quinazolinamine IUPAC Name: N-(3-fluoro-4-phenylmethoxyphenyl)-6-(furan-3-yl)-5-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine Traditional Name: [4-(4-benzoxy-3-fluoro-anilino)-6-(3-furyl)quinazolin-5-yl]methyl-(2-mesylethyl)amine Formula: C29H27FN4O4S MolecularWeight: 546.612483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=C(C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=C4)F)C5=COC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=C(C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=C4)F)C5=COC=C5

InChI

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