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

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-5-piperidin-4-yloxy-quinazolin-4-amine dihydrochloride Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(4-piperidyloxy)quinazolin-4-amine dihydrochloride CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-(4-piperidinyloxy)-4-quinazolinamine dihydrochloride IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-5-piperidin-4-yloxyquinazolin-4-amine dihydrochloride Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[5-(4-piperidyloxy)quinazolin-4-yl]amine dihydrochloride Formula: C20H21Cl3N4O3 MolecularWeight: 471.76474

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=CC=CC3=C2C(=NC=N3)NC4=C(C=CC5=C4OCO5)Cl.Cl.Cl

Isomeric SMILES

C1CNCCC1OC2=CC=CC3=C2C(=NC=N3)NC4=C(C=CC5=C4OCO5)Cl.Cl.Cl

InChI

InChI=1S/C20H19ClN4O3.2ClH/c21-13-4-5-16-19(27-11-26-16)18(13)25-20-17-14(23-10-24-20)2-1-3-15(17)28-12-6-8-22-9-7-12;;/h1-5,10,12,22H,6-9,11H2,(H,23,24,25);2*1H