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

Systemtic Name: 6-(2-chloranyl-4-methoxy-phenyl)-8-ethyl-9-heptyl-purine Openeye Name: 6-(2-chloro-4-methoxy-phenyl)-8-ethyl-9-heptyl-purine CAS Name: 6-(2-chloro-4-methoxyphenyl)-8-ethyl-9-heptylpurine IUPAC Name: 6-(2-chloro-4-methoxyphenyl)-8-ethyl-9-heptylpurine Traditional Name: 6-(2-chloro-4-methoxy-phenyl)-8-ethyl-9-heptyl-purine Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O/c1-4-6-7-8-9-12-26-18(5-2)25-20-19(23-14-24-21(20)26)16-11-10-15(27-3)13-17(16)22/h10-11,13-14H,4-9,12H2,1-3H3