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

Systemtic Name: N-(3-ethynyl-4-fluoranyl-phenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride Openeye Name: N-(3-ethynyl-4-fluoro-phenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride CAS Name: N-(3-ethynyl-4-fluorophenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine hydrochloride IUPAC Name: N-(3-ethynyl-4-fluorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride Traditional Name: [6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-(3-ethynyl-4-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(=C(C=C3)F)C#C)OCCOC.Cl

Isomeric SMILES

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

InChI

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