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

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(2-methoxyethylsulfanyl)quinazolin-4-amine Openeye Name: N-(4-chloro-2-fluoro-phenyl)-6-methoxy-7-(2-methoxyethylsulfanyl)quinazolin-4-amine CAS Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethylthio)-4-quinazolinamine IUPAC Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethylsulfanyl)quinazolin-4-amine Traditional Name: (4-chloro-2-fluoro-phenyl)-[6-methoxy-7-(2-methoxyethylthio)quinazolin-4-yl]amine Formula: C18H17ClFN3O2S MolecularWeight: 393.862883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=C(C=C2C(=C1)N=CN=C2NC3=C(C=C(C=C3)Cl)F)OC

Isomeric SMILES

COCCSC1=C(C=C2C(=C1)N=CN=C2NC3=C(C=C(C=C3)Cl)F)OC

InChI

InChI=1S/C18H17ClFN3O2S/c1-24-5-6-26-17-9-15-12(8-16(17)25-2)18(22-10-21-15)23-14-4-3-11(19)7-13(14)20/h3-4,7-10H,5-6H2,1-2H3,(H,21,22,23)