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

Systemtic Name: 6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine Openeye Name: 6-[2-[(2-methylsulfonylethylamino)methyl]thiazol-4-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine CAS Name: 6-[2-[(2-methylsulfonylethylamino)methyl]-4-thiazolyl]-N-(4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine Traditional Name: 2-mesylethyl-[[4-[4-(4-phenoxyanilino)quinazolin-6-yl]thiazol-2-yl]methyl]amine Formula: C27H25N5O3S2 MolecularWeight: 531.6491

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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)OC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3S2/c1-37(33,34)14-13-28-16-26-32-25(17-36-26)19-7-12-24-23(15-19)27(30-18-29-24)31-20-8-10-22(11-9-20)35-21-5-3-2-4-6-21/h2-12,15,17-18,28H,13-14,16H2,1H3,(H,29,30,31)