7-(2-chloroethyloxy)-N-(3-ethynylphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine hydrochloride

Systemtic Name: 7-(2-chloroethyloxy)-N-(3-ethynylphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine hydrochloride Openeye Name: 7-(2-chloroethoxy)-N-(3-ethynylphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine hydrochloride CAS Name: 7-(2-chloroethoxy)-N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-4-quinazolinamine hydrochloride IUPAC Name: 7-(2-chloroethoxy)-N-(3-ethynylphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine hydrochloride Traditional Name: [7-(2-chloroethoxy)-6-(2-methoxyethoxy)quinazolin-4-yl]-(3-ethynylphenyl)amine hydrochloride Formula: C21H21Cl2N3O3 MolecularWeight: 434.31574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3.ClH/c1-3-15-5-4-6-16(11-15)25-21-17-12-19(28-10-9-26-2)20(27-8-7-22)13-18(17)23-14-24-21;/h1,4-6,11-14H,7-10H2,2H3,(H,23,24,25);1H