N-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-(3-methylsulfanylpropoxy)quinazolin-4-amine

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-(3-methylsulfanylpropoxy)quinazolin-4-amine Openeye Name: N-(4-bromo-2-fluoro-phenyl)-6-methoxy-7-(3-methylsulfanylpropoxy)quinazolin-4-amine CAS Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[3-(methylthio)propoxy]-4-quinazolinamine IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(3-methylsulfanylpropoxy)quinazolin-4-amine Traditional Name: (4-bromo-2-fluoro-phenyl)-[6-methoxy-7-[3-(methylthio)propoxy]quinazolin-4-yl]amine Formula: C19H19BrFN3O2S MolecularWeight: 452.340463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCCCSC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCCCSC

InChI

InChI=1S/C19H19BrFN3O2S/c1-25-17-9-13-16(10-18(17)26-6-3-7-27-2)22-11-23-19(13)24-15-5-4-12(20)8-14(15)21/h4-5,8-11H,3,6-7H2,1-2H3,(H,22,23,24)