6-[5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine

Systemtic Name: 6-[5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine Openeye Name: 6-[5-[(2-methylsulfonylethylamino)methyl]thiazol-2-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine CAS Name: 6-[5-[(2-methylsulfonylethylamino)methyl]-2-thiazolyl]-N-(4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine Traditional Name: 2-mesylethyl-[[2-[4-(4-phenoxyanilino)quinazolin-6-yl]thiazol-5-yl]methyl]amine Formula: C27H25N5O3S2 MolecularWeight: 531.6491

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CN=C(S1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=CN=C(S1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

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