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

Systemtic Name: 1-[8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]amino]-7H-purin-2-yl]piperidin-4-ol Openeye Name: 1-[8-isopropyl-6-[4-(trifluoromethyl)anilino]-7H-purin-2-yl]piperidin-4-ol CAS Name: 1-[8-propan-2-yl-6-[4-(trifluoromethyl)anilino]-7H-purin-2-yl]-4-piperidinol IUPAC Name: 1-[8-propan-2-yl-6-[4-(trifluoromethyl)anilino]-7H-purin-2-yl]piperidin-4-ol Traditional Name: 1-[8-isopropyl-6-[4-(trifluoromethyl)anilino]-7H-purin-2-yl]piperidin-4-ol Formula: C20H23F3N6O MolecularWeight: 420.43143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=NC(=N2)N3CCC(CC3)O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=NC(=N2)N3CCC(CC3)O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H23F3N6O/c1-11(2)16-25-15-17(24-13-5-3-12(4-6-13)20(21,22)23)27-19(28-18(15)26-16)29-9-7-14(30)8-10-29/h3-6,11,14,30H,7-10H2,1-2H3,(H2,24,25,26,27,28)