6-(4-chloranyl-2-methyl-phenyl)-9-(1-cyclopropylbutyl)-8-ethyl-purine

Systemtic Name: 6-(4-chloranyl-2-methyl-phenyl)-9-(1-cyclopropylbutyl)-8-ethyl-purine Openeye Name: 6-(4-chloro-2-methyl-phenyl)-9-(1-cyclopropylbutyl)-8-ethyl-purine CAS Name: 6-(4-chloro-2-methylphenyl)-9-(1-cyclopropylbutyl)-8-ethylpurine IUPAC Name: 6-(4-chloro-2-methylphenyl)-9-(1-cyclopropylbutyl)-8-ethylpurine Traditional Name: 6-(4-chloro-2-methyl-phenyl)-9-(1-cyclopropylbutyl)-8-ethyl-purine Formula: C21H25ClN4 MolecularWeight: 368.903

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC1)N2C(=NC3=C(N=CN=C32)C4=C(C=C(C=C4)Cl)C)CC

Isomeric SMILES

CCCC(C1CC1)N2C(=NC3=C(N=CN=C32)C4=C(C=C(C=C4)Cl)C)CC

InChI

InChI=1S/C21H25ClN4/c1-4-6-17(14-7-8-14)26-18(5-2)25-20-19(23-12-24-21(20)26)16-10-9-15(22)11-13(16)3/h9-12,14,17H,4-8H2,1-3H3