7-[4-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine

Systemtic Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine Openeye Name: 7-[4-[(2-methylsulfonylethylamino)methyl]thiazol-2-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine CAS Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-2-thiazolyl]-N-(4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 7-[4-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine Traditional Name: 2-mesylethyl-[[2-[4-(4-phenoxyanilino)quinazolin-7-yl]thiazol-4-yl]methyl]amine Formula: C27H25N5O3S2 MolecularWeight: 531.6491

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CSC(=N1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=CSC(=N1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

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