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

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

Isomeric SMILES

CS(=O)(=O)CCNCC1=C(C=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)14-12-31-17-28-23(11-13-37-28)21-7-9-26-24(15-21)29(33-19-32-26)34-22-8-10-27(25(30)16-22)38-18-20-5-3-2-4-6-20/h2-11,13,15-16,19,31H,12,14,17-18H2,1H3,(H,32,33,34)