N-(3-ethynyl-5-fluoranyl-phenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride

Systemtic Name: N-(3-ethynyl-5-fluoranyl-phenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride Openeye Name: N-(3-ethynyl-5-fluoro-phenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride CAS Name: N-(3-ethynyl-5-fluorophenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine hydrochloride IUPAC Name: N-(3-ethynyl-5-fluorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride Traditional Name: [6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-(3-ethynyl-5-fluoro-phenyl)amine hydrochloride Formula: C22H23ClFN3O4 MolecularWeight: 447.887123

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC(=C3)C#C)F)OCCOC.Cl

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC(=C3)C#C)F)OCCOC.Cl

InChI

InChI=1S/C22H22FN3O4.ClH/c1-4-15-9-16(23)11-17(10-15)26-22-18-12-20(29-7-5-27-2)21(30-8-6-28-3)13-19(18)24-14-25-22;/h1,9-14H,5-8H2,2-3H3,(H,24,25,26);1H