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

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

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OCCO)OCCO.Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OCCO)OCCO.Cl

InChI

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