2-[4-[[3-(3-oxidanyl-1-adamantyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]amino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[3-(3-oxidanyl-1-adamantyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]amino]phenoxy]ethanoic acid Openeye Name: 2-[4-[[3-(3-hydroxy-1-adamantyl)triazolo[4,5-d]pyrimidin-5-yl]amino]phenoxy]acetic acid CAS Name: 2-[4-[[3-(3-hydroxy-1-adamantyl)-5-triazolo[4,5-d]pyrimidinyl]amino]phenoxy]acetic acid IUPAC Name: 2-[4-[[3-(3-hydroxy-1-adamantyl)triazolo[4,5-d]pyrimidin-5-yl]amino]phenoxy]acetic acid Traditional Name: 2-[4-[[3-(3-hydroxy-1-adamantyl)triazolo[4,5-d]pyrimidin-5-yl]amino]phenoxy]acetic acid Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)N4C5=NC(=NC=C5N=N4)NC6=CC=C(C=C6)OCC(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)N4C5=NC(=NC=C5N=N4)NC6=CC=C(C=C6)OCC(=O)O

InChI

InChI=1S/C22H24N6O4/c29-18(30)11-32-16-3-1-15(2-4-16)24-20-23-10-17-19(25-20)28(27-26-17)21-6-13-5-14(7-21)9-22(31,8-13)12-21/h1-4,10,13-14,31H,5-9,11-12H2,(H,29,30)(H,23,24,25)