N-(5-chloranyl-1,3-benzodioxol-4-yl)-6-methoxy-7-phenylmethoxy-quinazolin-4-amine dihydrochloride

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-6-methoxy-7-phenylmethoxy-quinazolin-4-amine dihydrochloride Openeye Name: 7-benzyloxy-N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-quinazolin-4-amine dihydrochloride CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-phenylmethoxy-4-quinazolinamine dihydrochloride IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine dihydrochloride Traditional Name: (7-benzoxy-6-methoxy-quinazolin-4-yl)-(5-chloro-1,3-benzodioxol-4-yl)amine dihydrochloride Formula: C23H20Cl3N3O4 MolecularWeight: 508.7816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC4=C3OCO4)Cl)OCC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC4=C3OCO4)Cl)OCC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C23H18ClN3O4.2ClH/c1-28-19-9-15-17(10-20(19)29-11-14-5-3-2-4-6-14)25-12-26-23(15)27-21-16(24)7-8-18-22(21)31-13-30-18;;/h2-10,12H,11,13H2,1H3,(H,25,26,27);2*1H