N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-2-amine hydrochloride

Systemtic Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-2-amine hydrochloride Openeye Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-2-amine hydrochloride CAS Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-2-quinazolinamine hydrochloride IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-2-amine hydrochloride Traditional Name: [6,7-bis(2-methoxyethoxy)quinazolin-2-yl]-(3-ethynylphenyl)amine hydrochloride Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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)OCCOC.Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-18(12-16)24-22-23-15-17-13-20(28-10-8-26-2)21(14-19(17)25-22)29-11-9-27-3;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H