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

Systemtic Name: 1-[4-[(3-ethynylphenyl)amino]-7-(2-hydroxyethyloxy)quinazolin-6-yl]oxyethanol hydrochloride Openeye Name: 1-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol hydrochloride CAS Name: 1-[[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)-6-quinazolinyl]oxy]ethanol hydrochloride IUPAC Name: 1-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol hydrochloride Traditional Name: 1-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol hydrochloride Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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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)OCCO.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4.ClH/c1-3-14-5-4-6-15(9-14)23-20-16-10-19(27-13(2)25)18(26-8-7-24)11-17(16)21-12-22-20;/h1,4-6,9-13,24-25H,7-8H2,2H3,(H,21,22,23);1H