N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(2-pyridin-4-ylsulfanylethoxy)quinazolin-4-amine

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(2-pyridin-4-ylsulfanylethoxy)quinazolin-4-amine Openeye Name: N-(4-chloro-2-fluoro-phenyl)-6-methoxy-7-[2-(4-pyridylsulfanyl)ethoxy]quinazolin-4-amine CAS Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(pyridin-4-ylthio)ethoxy]-4-quinazolinamine IUPAC Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-pyridin-4-ylsulfanylethoxy)quinazolin-4-amine Traditional Name: (4-chloro-2-fluoro-phenyl)-[6-methoxy-7-[2-(4-pyridylthio)ethoxy]quinazolin-4-yl]amine Formula: C22H18ClFN4O2S MolecularWeight: 456.920323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCCSC4=CC=NC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCCSC4=CC=NC=C4

InChI

InChI=1S/C22H18ClFN4O2S/c1-29-20-11-16-19(12-21(20)30-8-9-31-15-4-6-25-7-5-15)26-13-27-22(16)28-18-3-2-14(23)10-17(18)24/h2-7,10-13H,8-9H2,1H3,(H,26,27,28)