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

Systemtic Name: N-(3-bromanyl-4-phenylmethoxy-phenyl)-7-fluoranyl-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine Openeye Name: N-(4-benzyloxy-3-bromo-phenyl)-7-fluoro-6-[2-[(2-methylsulfonylethylamino)methyl]thiazol-4-yl]quinazolin-4-amine CAS Name: N-(3-bromo-4-phenylmethoxyphenyl)-7-fluoro-6-[2-[(2-methylsulfonylethylamino)methyl]-4-thiazolyl]-4-quinazolinamine IUPAC Name: N-(3-bromo-4-phenylmethoxyphenyl)-7-fluoro-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine Traditional Name: [4-[4-(4-benzoxy-3-bromo-anilino)-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)NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Br)F

Isomeric SMILES

CS(=O)(=O)CCNCC1=NC(=CS1)C2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Br)F

InChI

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