(2S)-2-[[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]-3-cyclohexyl-propan-1-ol

Systemtic Name: (2S)-2-[[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]-3-cyclohexyl-propan-1-ol Openeye Name: (2S)-2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]-3-cyclohexyl-propan-1-ol CAS Name: (2S)-2-[[6-(3-chloroanilino)-9-propan-2-yl-2-purinyl]amino]-3-cyclohexyl-1-propanol IUPAC Name: (2S)-2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-cyclohexylpropan-1-ol Traditional Name: (2S)-2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]-3-cyclohexyl-propan-1-ol Formula: C23H31ClN6O MolecularWeight: 442.98484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)NC(CC4CCCCC4)CO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N[C@@H](CC4CCCCC4)CO

InChI

InChI=1S/C23H31ClN6O/c1-15(2)30-14-25-20-21(26-18-10-6-9-17(24)12-18)28-23(29-22(20)30)27-19(13-31)11-16-7-4-3-5-8-16/h6,9-10,12,14-16,19,31H,3-5,7-8,11,13H2,1-2H3,(H2,26,27,28,29)/t19-/m0/s1