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

Systemtic Name: N-[3-bromanyl-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-ethylsulfonylethylamino)propyl]-1,3-thiazol-4-yl]-7-fluoranyl-quinazolin-4-amine Openeye Name: N-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-ethylsulfonylethylamino)propyl]thiazol-4-yl]-7-fluoro-quinazolin-4-amine CAS Name: N-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-ethylsulfonylethylamino)propyl]-4-thiazolyl]-7-fluoro-4-quinazolinamine IUPAC Name: N-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-ethylsulfonylethylamino)propyl]-1,3-thiazol-4-yl]-7-fluoroquinazolin-4-amine Traditional Name: 1-[4-[4-[3-bromo-4-(3-fluorobenzyl)oxy-anilino]-7-fluoro-quinazolin-6-yl]thiazol-2-yl]propyl-(2-esylethyl)amine Formula: C31H30BrF2N5O3S2 MolecularWeight: 702.632406

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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)Br)F)NCCS(=O)(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C31H30BrF2N5O3S2/c1-3-26(35-10-11-44(40,41)4-2)31-39-28(17-43-31)22-14-23-27(15-25(22)34)36-18-37-30(23)38-21-8-9-29(24(32)13-21)42-16-19-6-5-7-20(33)12-19/h5-9,12-15,17-18,26,35H,3-4,10-11,16H2,1-2H3,(H,36,37,38)