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

Systemtic Name: 7-fluoranyl-6-(furan-2-yl)-2-(3-iodanyl-4-phenylmethoxy-phenyl)-5-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine Openeye Name: 2-(4-benzyloxy-3-iodo-phenyl)-7-fluoro-6-(2-furyl)-5-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine CAS Name: 7-fluoro-6-(2-furanyl)-2-(3-iodo-4-phenylmethoxyphenyl)-5-[(2-methylsulfonylethylamino)methyl]-4-quinazolinamine IUPAC Name: 7-fluoro-6-(furan-2-yl)-2-(3-iodo-4-phenylmethoxyphenyl)-5-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine Traditional Name: [4-amino-2-(4-benzoxy-3-iodo-phenyl)-7-fluoro-6-(2-furyl)quinazolin-5-yl]methyl-(2-mesylethyl)amine Formula: C29H26FIN4O4S MolecularWeight: 672.509013

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=C2C(=CC(=C1C3=CC=CO3)F)N=C(N=C2N)C4=CC(=C(C=C4)OCC5=CC=CC=C5)I

Isomeric SMILES

CS(=O)(=O)CCNCC1=C2C(=CC(=C1C3=CC=CO3)F)N=C(N=C2N)C4=CC(=C(C=C4)OCC5=CC=CC=C5)I

InChI

InChI=1S/C29H26FIN4O4S/c1-40(36,37)13-11-33-16-20-26(25-8-5-12-38-25)21(30)15-23-27(20)28(32)35-29(34-23)19-9-10-24(22(31)14-19)39-17-18-6-3-2-4-7-18/h2-10,12,14-15,33H,11,13,16-17H2,1H3,(H2,32,34,35)