6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-quinazolin-4-amine

Systemtic Name: 6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-quinazolin-4-amine Openeye Name: 6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-N-(3-chloro-4-fluoro-phenyl)-7-methoxy-quinazolin-4-amine CAS Name: 6-[3-(1,3-benzoxazol-2-ylthio)propoxy]-N-(3-chloro-4-fluorophenyl)-7-methoxy-4-quinazolinamine IUPAC Name: 6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine Traditional Name: [6-[3-(1,3-benzoxazol-2-ylthio)propoxy]-7-methoxy-quinazolin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C25H20ClFN4O3S MolecularWeight: 510.967703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCSC4=NC5=CC=CC=C5O4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H20ClFN4O3S/c1-32-22-13-20-16(24(29-14-28-20)30-15-7-8-18(27)17(26)11-15)12-23(22)33-9-4-10-35-25-31-19-5-2-3-6-21(19)34-25/h2-3,5-8,11-14H,4,9-10H2,1H3,(H,28,29,30)