1-[[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]-methyl-amino]cyclohexan-1-ol

Systemtic Name: 1-[[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]-methyl-amino]cyclohexan-1-ol Openeye Name: 1-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]-methyl-amino]cyclohexanol CAS Name: 1-[[6-(3-chloroanilino)-9-ethyl-2-purinyl]-methylamino]-1-cyclohexanol IUPAC Name: 1-[[6-(3-chloroanilino)-9-ethylpurin-2-yl]-methylamino]cyclohexan-1-ol Traditional Name: 1-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]-methyl-amino]cyclohexanol Formula: C20H25ClN6O MolecularWeight: 400.9051

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N(C)C4(CCCCC4)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N(C)C4(CCCCC4)O

InChI

InChI=1S/C20H25ClN6O/c1-3-27-13-22-16-17(23-15-9-7-8-14(21)12-15)24-19(25-18(16)27)26(2)20(28)10-5-4-6-11-20/h7-9,12-13,28H,3-6,10-11H2,1-2H3,(H,23,24,25)