2-[4-[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(3-chloroanilino)-9-propan-2-yl-2-purinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]piperazino]ethanol Formula: C20H26ClN7O MolecularWeight: 415.91974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCN(CC4)CCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCN(CC4)CCO

InChI

InChI=1S/C20H26ClN7O/c1-14(2)28-13-22-17-18(23-16-5-3-4-15(21)12-16)24-20(25-19(17)28)27-8-6-26(7-9-27)10-11-29/h3-5,12-14,29H,6-11H2,1-2H3,(H,23,24,25)