6-[2,4-bis(chloranyl)-6-methyl-phenyl]-9-(dicyclopropylmethyl)-8-ethyl-purine

Systemtic Name: 6-[2,4-bis(chloranyl)-6-methyl-phenyl]-9-(dicyclopropylmethyl)-8-ethyl-purine Openeye Name: 6-(2,4-dichloro-6-methyl-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine CAS Name: 6-(2,4-dichloro-6-methylphenyl)-9-(dicyclopropylmethyl)-8-ethylpurine IUPAC Name: 6-(2,4-dichloro-6-methylphenyl)-9-(dicyclopropylmethyl)-8-ethylpurine Traditional Name: 6-(2,4-dichloro-6-methyl-phenyl)-9-(dicyclopropylmethyl)-8-ethyl-purine Formula: C21H22Cl2N4 MolecularWeight: 401.33218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4CC4)C5=C(C=C(C=C5C)Cl)Cl

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4CC4)C5=C(C=C(C=C5C)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4/c1-3-16-26-19-18(17-11(2)8-14(22)9-15(17)23)24-10-25-21(19)27(16)20(12-4-5-12)13-6-7-13/h8-10,12-13,20H,3-7H2,1-2H3