1-[4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol hydrochloride

Systemtic Name: 1-[4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol hydrochloride Openeye Name: 1-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol hydrochloride CAS Name: 1-[[4-(3-ethynylanilino)-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]ethanol hydrochloride IUPAC Name: 1-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol hydrochloride Traditional Name: 1-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol hydrochloride Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl

Isomeric SMILES

CC(O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl

InChI

InChI=1S/C21H21N3O4.ClH/c1-4-15-6-5-7-16(10-15)24-21-17-11-20(28-14(2)25)19(27-9-8-26-3)12-18(17)22-13-23-21;/h1,5-7,10-14,25H,8-9H2,2-3H3,(H,22,23,24);1H