6-(2-chloranyl-4-methoxy-5-methyl-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine

Systemtic Name: 6-(2-chloranyl-4-methoxy-5-methyl-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine Openeye Name: 6-(2-chloro-4-methoxy-5-methyl-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine CAS Name: 6-(2-chloro-4-methoxy-5-methylphenyl)-9-(dicyclopropylmethyl)-8-ethylpurine IUPAC Name: 6-(2-chloro-4-methoxy-5-methylphenyl)-9-(dicyclopropylmethyl)-8-ethylpurine Traditional Name: 6-(2-chloro-4-methoxy-5-methyl-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine Formula: C22H25ClN4O MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4CC4)C5=CC(=C(C=C5Cl)OC)C

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4CC4)C5=CC(=C(C=C5Cl)OC)C

InChI

InChI=1S/C22H25ClN4O/c1-4-18-26-20-19(15-9-12(2)17(28-3)10-16(15)23)24-11-25-22(20)27(18)21(13-5-6-13)14-7-8-14/h9-11,13-14,21H,4-8H2,1-3H3