6-(4-chloranyl-2-methyl-phenyl)-8-ethyl-9-heptyl-purine

Systemtic Name: 6-(4-chloranyl-2-methyl-phenyl)-8-ethyl-9-heptyl-purine Openeye Name: 6-(4-chloro-2-methyl-phenyl)-8-ethyl-9-heptyl-purine CAS Name: 6-(4-chloro-2-methylphenyl)-8-ethyl-9-heptylpurine IUPAC Name: 6-(4-chloro-2-methylphenyl)-8-ethyl-9-heptylpurine Traditional Name: 6-(4-chloro-2-methyl-phenyl)-8-ethyl-9-heptyl-purine Formula: C21H27ClN4 MolecularWeight: 370.91888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)Cl)C)CC

Isomeric SMILES

CCCCCCCN1C(=NC2=C(N=CN=C21)C3=C(C=C(C=C3)Cl)C)CC

InChI

InChI=1S/C21H27ClN4/c1-4-6-7-8-9-12-26-18(5-2)25-20-19(23-14-24-21(20)26)17-11-10-16(22)13-15(17)3/h10-11,13-14H,4-9,12H2,1-3H3