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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4/c1-4-6-17(14-8-9-14)26-18(5-2)25-20-19(23-12-24-21(20)26)15-10-7-13(3)11-16(15)22/h7,10-12,14,17H,4-6,8-9H2,1-3H3