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

Systemtic Name: 7-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]-N-[2-(phenylsulfonyl)phenyl]quinazolin-4-amine Openeye Name: N-[2-(benzenesulfonyl)phenyl]-7-[2-[(2-methylsulfonylethylamino)methyl]thiazol-4-yl]quinazolin-4-amine CAS Name: N-[2-(benzenesulfonyl)phenyl]-7-[2-[(2-methylsulfonylethylamino)methyl]-4-thiazolyl]-4-quinazolinamine IUPAC Name: N-[2-(benzenesulfonyl)phenyl]-7-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine Traditional Name: [4-[4-(2-besylanilino)quinazolin-7-yl]thiazol-2-yl]methyl-(2-mesylethyl)amine Formula: C27H25N5O4S3 MolecularWeight: 579.7135

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC=CC=C4S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC=CC=C4S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O4S3/c1-38(33,34)14-13-28-16-26-31-24(17-37-26)19-11-12-21-23(15-19)29-18-30-27(21)32-22-9-5-6-10-25(22)39(35,36)20-7-3-2-4-8-20/h2-12,15,17-18,28H,13-14,16H2,1H3,(H,29,30,32)