N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(pyrimidin-4-ylmethoxy)quinazolin-4-amine hydrochloride

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(pyrimidin-4-ylmethoxy)quinazolin-4-amine hydrochloride Openeye Name: N-(4-chloro-2-fluoro-phenyl)-6-methoxy-7-(pyrimidin-4-ylmethoxy)quinazolin-4-amine hydrochloride CAS Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(4-pyrimidinylmethoxy)-4-quinazolinamine hydrochloride IUPAC Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyrimidin-4-ylmethoxy)quinazolin-4-amine hydrochloride Traditional Name: (4-chloro-2-fluoro-phenyl)-[6-methoxy-7-(4-pyrimidylmethoxy)quinazolin-4-yl]amine hydrochloride Formula: C20H16Cl2FN5O2 MolecularWeight: 448.277743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCC4=NC=NC=C4.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCC4=NC=NC=C4.Cl

InChI

InChI=1S/C20H15ClFN5O2.ClH/c1-28-18-7-14-17(8-19(18)29-9-13-4-5-23-10-24-13)25-11-26-20(14)27-16-3-2-12(21)6-15(16)22;/h2-8,10-11H,9H2,1H3,(H,25,26,27);1H