2-[[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]-cyclohexyl-amino]ethanol

Systemtic Name: 2-[[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]-cyclohexyl-amino]ethanol Openeye Name: 2-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]-cyclohexyl-amino]ethanol CAS Name: 2-[[6-(3-chloroanilino)-9-ethyl-2-purinyl]-cyclohexylamino]ethanol IUPAC Name: 2-[[6-(3-chloroanilino)-9-ethylpurin-2-yl]-cyclohexylamino]ethanol Traditional Name: 2-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]-cyclohexyl-amino]ethanol Formula: C21H27ClN6O MolecularWeight: 414.93168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N(CCO)C4CCCCC4

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N(CCO)C4CCCCC4

InChI

InChI=1S/C21H27ClN6O/c1-2-27-14-23-18-19(24-16-8-6-7-15(22)13-16)25-21(26-20(18)27)28(11-12-29)17-9-4-3-5-10-17/h6-8,13-14,17,29H,2-5,9-12H2,1H3,(H,24,25,26)