6-ethynyl-2-imidazol-1-yl-N-(phenylmethyl)quinazolin-4-amine dihydrochloride

Systemtic Name: 6-ethynyl-2-imidazol-1-yl-N-(phenylmethyl)quinazolin-4-amine dihydrochloride Openeye Name: N-benzyl-6-ethynyl-2-imidazol-1-yl-quinazolin-4-amine dihydrochloride CAS Name: 6-ethynyl-2-(1-imidazolyl)-N-(phenylmethyl)-4-quinazolinamine dihydrochloride IUPAC Name: N-benzyl-6-ethynyl-2-imidazol-1-ylquinazolin-4-amine dihydrochloride Traditional Name: benzyl-(6-ethynyl-2-imidazol-1-yl-quinazolin-4-yl)amine dihydrochloride Formula: C20H17Cl2N5 MolecularWeight: 398.28848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)N=C(N=C2NCC3=CC=CC=C3)N4C=CN=C4.Cl.Cl

Isomeric SMILES

C#CC1=CC2=C(C=C1)N=C(N=C2NCC3=CC=CC=C3)N4C=CN=C4.Cl.Cl

InChI

InChI=1S/C20H15N5.2ClH/c1-2-15-8-9-18-17(12-15)19(22-13-16-6-4-3-5-7-16)24-20(23-18)25-11-10-21-14-25;;/h1,3-12,14H,13H2,(H,22,23,24);2*1H