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

Systemtic Name: N-(3-fluoranyl-4-phenylmethoxy-phenyl)-6-[5-[(2-methylsulfonylethylamino)methyl]furan-3-yl]quinazolin-4-amine Openeye Name: N-(4-benzyloxy-3-fluoro-phenyl)-6-[5-[(2-methylsulfonylethylamino)methyl]-3-furyl]quinazolin-4-amine CAS Name: N-(3-fluoro-4-phenylmethoxyphenyl)-6-[5-[(2-methylsulfonylethylamino)methyl]-3-furanyl]-4-quinazolinamine IUPAC Name: N-(3-fluoro-4-phenylmethoxyphenyl)-6-[5-[(2-methylsulfonylethylamino)methyl]furan-3-yl]quinazolin-4-amine Traditional Name: [4-[4-(4-benzoxy-3-fluoro-anilino)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(=CO1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)F

Isomeric SMILES

CS(=O)(=O)CCNCC1=CC(=CO1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)F

InChI

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