2-[[6-[(3-chlorophenyl)amino]-8-phenyl-9-propan-2-yl-purin-2-yl]amino]ethanol

Systemtic Name: 2-[[6-[(3-chlorophenyl)amino]-8-phenyl-9-propan-2-yl-purin-2-yl]amino]ethanol Openeye Name: 2-[[6-(3-chloroanilino)-9-isopropyl-8-phenyl-purin-2-yl]amino]ethanol CAS Name: 2-[[6-(3-chloroanilino)-8-phenyl-9-propan-2-yl-2-purinyl]amino]ethanol IUPAC Name: 2-[[6-(3-chloroanilino)-8-phenyl-9-propan-2-ylpurin-2-yl]amino]ethanol Traditional Name: 2-[[6-(3-chloroanilino)-9-isopropyl-8-phenyl-purin-2-yl]amino]ethanol Formula: C22H23ClN6O MolecularWeight: 422.91062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=NC(=N2)NCCO)NC3=CC(=CC=C3)Cl)N=C1C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C2=C(C(=NC(=N2)NCCO)NC3=CC(=CC=C3)Cl)N=C1C4=CC=CC=C4

InChI

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