N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-fluoranyl-quinazolin-4-amine dihydrochloride

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-fluoranyl-quinazolin-4-amine dihydrochloride Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-fluoro-quinazolin-4-amine dihydrochloride CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-fluoro-4-quinazolinamine dihydrochloride IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-fluoroquinazolin-4-amine dihydrochloride Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-(5-fluoroquinazolin-4-yl)amine dihydrochloride Formula: C15H11Cl3FN3O2 MolecularWeight: 390.624143

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)Cl)NC3=NC=NC4=C3C(=CC=C4)F.Cl.Cl

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)Cl)NC3=NC=NC4=C3C(=CC=C4)F.Cl.Cl

InChI

InChI=1S/C15H9ClFN3O2.2ClH/c16-8-4-5-11-14(22-7-21-11)13(8)20-15-12-9(17)2-1-3-10(12)18-6-19-15;;/h1-6H,7H2,(H,18,19,20);2*1H