N-(2-bromanyl-5-methoxy-phenyl)-5-piperidin-4-yloxy-7-(pyridin-3-ylmethoxy)quinazolin-4-amine dihydrochloride

Systemtic Name: N-(2-bromanyl-5-methoxy-phenyl)-5-piperidin-4-yloxy-7-(pyridin-3-ylmethoxy)quinazolin-4-amine dihydrochloride Openeye Name: N-(2-bromo-5-methoxy-phenyl)-5-(4-piperidyloxy)-7-(3-pyridylmethoxy)quinazolin-4-amine dihydrochloride CAS Name: N-(2-bromo-5-methoxyphenyl)-5-(4-piperidinyloxy)-7-(3-pyridinylmethoxy)-4-quinazolinamine dihydrochloride IUPAC Name: N-(2-bromo-5-methoxyphenyl)-5-piperidin-4-yloxy-7-(pyridin-3-ylmethoxy)quinazolin-4-amine dihydrochloride Traditional Name: (2-bromo-5-methoxy-phenyl)-[5-(4-piperidyloxy)-7-(3-pyridylmethoxy)quinazolin-4-yl]amine dihydrochloride Formula: C26H28BrCl2N5O3 MolecularWeight: 609.34222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)NC2=NC=NC3=CC(=CC(=C32)OC4CCNCC4)OCC5=CN=CC=C5.Cl.Cl

Isomeric SMILES

COC1=CC(=C(C=C1)Br)NC2=NC=NC3=CC(=CC(=C32)OC4CCNCC4)OCC5=CN=CC=C5.Cl.Cl

InChI

InChI=1S/C26H26BrN5O3.2ClH/c1-33-19-4-5-21(27)22(11-19)32-26-25-23(30-16-31-26)12-20(34-15-17-3-2-8-29-14-17)13-24(25)35-18-6-9-28-10-7-18;;/h2-5,8,11-14,16,18,28H,6-7,9-10,15H2,1H3,(H,30,31,32);2*1H