N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxy-6-[2-[1-(2-methylsulfonylethylamino)propyl]-1,3-thiazol-4-yl]quinazolin-4-amine

Systemtic Name: N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxy-6-[2-[1-(2-methylsulfonylethylamino)propyl]-1,3-thiazol-4-yl]quinazolin-4-amine Openeye Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxy-6-[2-[1-(2-methylsulfonylethylamino)propyl]thiazol-4-yl]quinazolin-4-amine CAS Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxy-6-[2-[1-(2-methylsulfonylethylamino)propyl]-4-thiazolyl]-4-quinazolinamine IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxy-6-[2-[1-(2-methylsulfonylethylamino)propyl]-1,3-thiazol-4-yl]quinazolin-4-amine Traditional Name: 1-[4-[4-[3-chloro-4-(3-fluorobenzyl)oxy-anilino]-7-methoxy-quinazolin-6-yl]thiazol-2-yl]propyl-(2-mesylethyl)amine Formula: C31H31ClFN5O4S2 MolecularWeight: 656.190343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=CS1)C2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)OC)NCCS(=O)(=O)C

Isomeric SMILES

CCC(C1=NC(=CS1)C2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)OC)NCCS(=O)(=O)C

InChI

InChI=1S/C31H31ClFN5O4S2/c1-4-25(34-10-11-44(3,39)40)31-38-27(17-43-31)22-14-23-26(15-29(22)41-2)35-18-36-30(23)37-21-8-9-28(24(32)13-21)42-16-19-6-5-7-20(33)12-19/h5-9,12-15,17-18,25,34H,4,10-11,16H2,1-3H3,(H,35,36,37)