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

Systemtic Name: 6-(2-chloranyl-4-methoxy-phenyl)-9-(1-cyclopropylbutyl)-8-ethyl-purine Openeye Name: 6-(2-chloro-4-methoxy-phenyl)-9-(1-cyclopropylbutyl)-8-ethyl-purine CAS Name: 6-(2-chloro-4-methoxyphenyl)-9-(1-cyclopropylbutyl)-8-ethylpurine IUPAC Name: 6-(2-chloro-4-methoxyphenyl)-9-(1-cyclopropylbutyl)-8-ethylpurine Traditional Name: 6-(2-chloro-4-methoxy-phenyl)-9-(1-cyclopropylbutyl)-8-ethyl-purine Formula: C21H25ClN4O MolecularWeight: 384.9024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O/c1-4-6-17(13-7-8-13)26-18(5-2)25-20-19(23-12-24-21(20)26)15-10-9-14(27-3)11-16(15)22/h9-13,17H,4-8H2,1-3H3