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

Systemtic Name: N-(3-iodanyl-4-phenylmethoxy-phenyl)-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine Openeye Name: N-(4-benzyloxy-3-iodo-phenyl)-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine CAS Name: N-(3-iodo-4-phenylmethoxyphenyl)-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-4-quinazolinamine IUPAC Name: N-(3-iodo-4-phenylmethoxyphenyl)-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine Traditional Name: [5-[4-(4-benzoxy-3-iodo-anilino)quinazolin-6-yl]-2-furyl]methyl-(2-mesylethyl)amine Formula: C29H27IN4O4S MolecularWeight: 654.51855

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)I

Isomeric SMILES

CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)I

InChI

InChI=1S/C29H27IN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34)