2-[1-[6-[(4-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]piperidin-2-yl]ethanol

Systemtic Name: 2-[1-[6-[(4-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]piperidin-2-yl]ethanol Openeye Name: 2-[1-[6-(4-chloroanilino)-9-isopropyl-purin-2-yl]-2-piperidyl]ethanol CAS Name: 2-[1-[6-(4-chloroanilino)-9-propan-2-yl-2-purinyl]-2-piperidinyl]ethanol IUPAC Name: 2-[1-[6-(4-chloroanilino)-9-propan-2-ylpurin-2-yl]piperidin-2-yl]ethanol Traditional Name: 2-[1-[6-(4-chloroanilino)-9-isopropyl-purin-2-yl]-2-piperidyl]ethanol Formula: C21H27ClN6O MolecularWeight: 414.93168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)Cl)N4CCCCC4CCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)Cl)N4CCCCC4CCO

InChI

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