N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-phenoxy-quinazolin-4-amine hydrochloride

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-phenoxy-quinazolin-4-amine hydrochloride Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-phenoxy-quinazolin-4-amine hydrochloride CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-phenoxy-4-quinazolinamine hydrochloride IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-phenoxyquinazolin-4-amine hydrochloride Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-(5-phenoxyquinazolin-4-yl)amine hydrochloride Formula: C21H15Cl2N3O3 MolecularWeight: 428.2681

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)Cl)NC3=NC=NC4=C3C(=CC=C4)OC5=CC=CC=C5.Cl

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)Cl)NC3=NC=NC4=C3C(=CC=C4)OC5=CC=CC=C5.Cl

InChI

InChI=1S/C21H14ClN3O3.ClH/c22-14-9-10-17-20(27-12-26-17)19(14)25-21-18-15(23-11-24-21)7-4-8-16(18)28-13-5-2-1-3-6-13;/h1-11H,12H2,(H,23,24,25);1H