[2-chloranyl-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-pyridin-4-yl-methanol dihydrochloride

Systemtic Name: [2-chloranyl-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-pyridin-4-yl-methanol dihydrochloride Openeye Name: [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-(4-pyridyl)methanol dihydrochloride CAS Name: [2-chloro-4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-pyridin-4-ylmethanol dihydrochloride IUPAC Name: [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-pyridin-4-ylmethanol dihydrochloride Traditional Name: [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-(4-pyridyl)methanol dihydrochloride Formula: C22H21Cl3N4O3 MolecularWeight: 495.78614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)C(C4=CC=NC=C4)O)Cl)OC.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)C(C4=CC=NC=C4)O)Cl)OC.Cl.Cl

InChI

InChI=1S/C22H19ClN4O3.2ClH/c1-29-19-10-16-18(11-20(19)30-2)25-12-26-22(16)27-14-3-4-15(17(23)9-14)21(28)13-5-7-24-8-6-13;;/h3-12,21,28H,1-2H3,(H,25,26,27);2*1H