1-[6-[(4-chlorophenyl)amino]-8-propan-2-yl-7H-purin-2-yl]-4-phenyl-piperidin-4-ol

Systemtic Name: 1-[6-[(4-chlorophenyl)amino]-8-propan-2-yl-7H-purin-2-yl]-4-phenyl-piperidin-4-ol Openeye Name: 1-[6-(4-chloroanilino)-8-isopropyl-7H-purin-2-yl]-4-phenyl-piperidin-4-ol CAS Name: 1-[6-(4-chloroanilino)-8-propan-2-yl-7H-purin-2-yl]-4-phenyl-4-piperidinol IUPAC Name: 1-[6-(4-chloroanilino)-8-propan-2-yl-7H-purin-2-yl]-4-phenylpiperidin-4-ol Traditional Name: 1-[6-(4-chloroanilino)-8-isopropyl-7H-purin-2-yl]-4-phenyl-piperidin-4-ol Formula: C25H27ClN6O MolecularWeight: 462.97448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=NC(=N2)N3CCC(CC3)(C4=CC=CC=C4)O)NC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=NC(=N2)N3CCC(CC3)(C4=CC=CC=C4)O)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H27ClN6O/c1-16(2)21-28-20-22(27-19-10-8-18(26)9-11-19)30-24(31-23(20)29-21)32-14-12-25(33,13-15-32)17-6-4-3-5-7-17/h3-11,16,33H,12-15H2,1-2H3,(H2,27,28,29,30,31)