N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine

Systemtic Name: N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine Openeye Name: N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-[4-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine CAS Name: N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-[4-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-4-quinazolinamine IUPAC Name: N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine Traditional Name: [5-[4-[4-(3-fluorobenzyl)oxyanilino]quinazolin-6-yl]-3-furyl]methyl-(2-mesylethyl)amine Formula: C29H27FN4O4S MolecularWeight: 546.612483

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)OCC5=CC(=CC=C5)F

Isomeric SMILES

CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC(=CC=C5)F

InChI

InChI=1S/C29H27FN4O4S/c1-39(35,36)12-11-31-16-21-14-28(38-18-21)22-5-10-27-26(15-22)29(33-19-32-27)34-24-6-8-25(9-7-24)37-17-20-3-2-4-23(30)13-20/h2-10,13-15,18-19,31H,11-12,16-17H2,1H3,(H,32,33,34)