6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine

Systemtic Name: 6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine Openeye Name: 6-[4-[(2-methylsulfonylethylamino)methyl]-2-furyl]-N-(4-phenoxyphenyl)quinazolin-4-amine CAS Name: 6-[4-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-N-(4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenoxyphenyl)quinazolin-4-amine Traditional Name: 2-mesylethyl-[[5-[4-(4-phenoxyanilino)quinazolin-6-yl]-3-furyl]methyl]amine Formula: C28H26N4O4S MolecularWeight: 514.59544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O4S/c1-37(33,34)14-13-29-17-20-15-27(35-18-20)21-7-12-26-25(16-21)28(31-19-30-26)32-22-8-10-24(11-9-22)36-23-5-3-2-4-6-23/h2-12,15-16,18-19,29H,13-14,17H2,1H3,(H,30,31,32)