(2S)-2-[[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]-2-phenyl-ethanol

Systemtic Name: (2S)-2-[[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]-2-phenyl-ethanol Openeye Name: (2S)-2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]-2-phenyl-ethanol CAS Name: (2S)-2-[[6-(3-chloroanilino)-9-propan-2-yl-2-purinyl]amino]-2-phenylethanol IUPAC Name: (2S)-2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-2-phenylethanol Traditional Name: (2S)-2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]-2-phenyl-ethanol Formula: C22H23ClN6O MolecularWeight: 422.91062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)NC(CO)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N[C@H](CO)C4=CC=CC=C4

InChI

InChI=1S/C22H23ClN6O/c1-14(2)29-13-24-19-20(25-17-10-6-9-16(23)11-17)27-22(28-21(19)29)26-18(12-30)15-7-4-3-5-8-15/h3-11,13-14,18,30H,12H2,1-2H3,(H2,25,26,27,28)/t18-/m1/s1