N-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine hydrochloride

Systemtic Name: N-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine hydrochloride Openeye Name: N-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine hydrochloride CAS Name: N-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]-4-quinazolinamine hydrochloride IUPAC Name: N-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine hydrochloride Traditional Name: [6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-yl]-(3-ethynylphenyl)amine hydrochloride Formula: C22H24ClN3O4 MolecularWeight: 435.933631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])([2H])OCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC([2H])([2H])[2H].Cl

InChI

InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H/i2D3,3D3;