N-(3-iodanyl-4-phenylmethoxy-phenyl)-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine

Systemtic Name: N-(3-iodanyl-4-phenylmethoxy-phenyl)-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine Openeye Name: N-(4-benzyloxy-3-iodo-phenyl)-6-[2-[(2-methylsulfonylethylamino)methyl]thiazol-4-yl]quinazolin-4-amine CAS Name: N-(3-iodo-4-phenylmethoxyphenyl)-6-[2-[(2-methylsulfonylethylamino)methyl]-4-thiazolyl]-4-quinazolinamine IUPAC Name: N-(3-iodo-4-phenylmethoxyphenyl)-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine Traditional Name: [4-[4-(4-benzoxy-3-iodo-anilino)quinazolin-6-yl]thiazol-2-yl]methyl-(2-mesylethyl)amine Formula: C28H26IN5O3S2 MolecularWeight: 671.57221

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)I

Isomeric SMILES

CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)I

InChI

InChI=1S/C28H26IN5O3S2/c1-39(35,36)12-11-30-15-27-34-25(17-38-27)20-7-9-24-22(13-20)28(32-18-31-24)33-21-8-10-26(23(29)14-21)37-16-19-5-3-2-4-6-19/h2-10,13-14,17-18,30H,11-12,15-16H2,1H3,(H,31,32,33)