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

Systemtic Name: 6,7-bis(2-chloroethyloxy)-N-(3-ethynylphenyl)quinazolin-4-amine hydrochloride Openeye Name: 6,7-bis(2-chloroethoxy)-N-(3-ethynylphenyl)quinazolin-4-amine hydrochloride CAS Name: 6,7-bis(2-chloroethoxy)-N-(3-ethynylphenyl)-4-quinazolinamine hydrochloride IUPAC Name: 6,7-bis(2-chloroethoxy)-N-(3-ethynylphenyl)quinazolin-4-amine hydrochloride Traditional Name: [6,7-bis(2-chloroethoxy)quinazolin-4-yl]-(3-ethynylphenyl)amine hydrochloride Formula: C20H18Cl3N3O2 MolecularWeight: 438.73482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3O2.ClH/c1-2-14-4-3-5-15(10-14)25-20-16-11-18(26-8-6-21)19(27-9-7-22)12-17(16)23-13-24-20;/h1,3-5,10-13H,6-9H2,(H,23,24,25);1H