2-(3-bromanyl-4-phenylmethoxy-phenyl)-7-fluoranyl-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine

Systemtic Name: 2-(3-bromanyl-4-phenylmethoxy-phenyl)-7-fluoranyl-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine Openeye Name: 2-(4-benzyloxy-3-bromo-phenyl)-7-fluoro-6-[2-[(2-methylsulfonylethylamino)methyl]thiazol-4-yl]quinazolin-4-amine CAS Name: 2-(3-bromo-4-phenylmethoxyphenyl)-7-fluoro-6-[2-[(2-methylsulfonylethylamino)methyl]-4-thiazolyl]-4-quinazolinamine IUPAC Name: 2-(3-bromo-4-phenylmethoxyphenyl)-7-fluoro-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine Traditional Name: [4-[4-amino-2-(4-benzoxy-3-bromo-phenyl)-7-fluoro-quinazolin-6-yl]thiazol-2-yl]methyl-(2-mesylethyl)amine Formula: C28H25BrFN5O3S2 MolecularWeight: 642.562203

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=NC(=CS1)C2=C(C=C3C(=C2)C(=NC(=N3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)Br)N)F

Isomeric SMILES

CS(=O)(=O)CCNCC1=NC(=CS1)C2=C(C=C3C(=C2)C(=NC(=N3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)Br)N)F

InChI

InChI=1S/C28H25BrFN5O3S2/c1-40(36,37)10-9-32-14-26-33-24(16-39-26)19-12-20-23(13-22(19)30)34-28(35-27(20)31)18-7-8-25(21(29)11-18)38-15-17-5-3-2-4-6-17/h2-8,11-13,16,32H,9-10,14-15H2,1H3,(H2,31,34,35)