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

Systemtic Name: 6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-6-[2-[(2-methylsulfonylethylamino)methyl]thiazol-4-yl]quinazolin-4-amine CAS Name: 6-[2-[(2-methylsulfonylethylamino)methyl]-4-thiazolyl]-N-(4-phenylmethoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Traditional Name: [4-[4-(4-benzoxyanilino)quinazolin-6-yl]thiazol-2-yl]methyl-(2-mesylethyl)amine Formula: C28H27N5O3S2 MolecularWeight: 545.67568

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N5O3S2/c1-38(34,35)14-13-29-16-27-33-26(18-37-27)21-7-12-25-24(15-21)28(31-19-30-25)32-22-8-10-23(11-9-22)36-17-20-5-3-2-4-6-20/h2-12,15,18-19,29H,13-14,16-17H2,1H3,(H,30,31,32)