6-(2,4-dichlorophenyl)-8-ethyl-9-hex-1-yn-3-yl-purine

Systemtic Name: 6-(2,4-dichlorophenyl)-8-ethyl-9-hex-1-yn-3-yl-purine Openeye Name: 6-(2,4-dichlorophenyl)-8-ethyl-9-(1-ethynylbutyl)purine CAS Name: 6-(2,4-dichlorophenyl)-8-ethyl-9-hex-1-yn-3-ylpurine IUPAC Name: 6-(2,4-dichlorophenyl)-8-ethyl-9-hex-1-yn-3-ylpurine Traditional Name: 6-(2,4-dichlorophenyl)-8-ethyl-9-(1-propylprop-2-ynyl)purine Formula: C19H18Cl2N4 MolecularWeight: 373.27902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#C)N1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)Cl)Cl)CC

Isomeric SMILES

CCCC(C#C)N1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)Cl)Cl)CC

InChI

InChI=1S/C19H18Cl2N4/c1-4-7-13(5-2)25-16(6-3)24-18-17(22-11-23-19(18)25)14-9-8-12(20)10-15(14)21/h2,8-11,13H,4,6-7H2,1,3H3