2-[4-[(1-cyclopentyl-3-ethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(1-cyclopentyl-3-ethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(1-cyclopentyl-3-ethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]phenoxy]acetic acid CAS Name: 2-[4-[(1-cyclopentyl-3-ethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(1-cyclopentyl-3-ethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]phenoxy]acetic acid Traditional Name: 2-[4-[(1-cyclopentyl-3-ethyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]phenoxy]acetic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)CC3=CC=C(C=C3)OCC(=O)O)N(N1)C4CCCC4

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)CC3=CC=C(C=C3)OCC(=O)O)N(N1)C4CCCC4

InChI

InChI=1S/C21H24N4O4/c1-2-16-19-20(25(24-16)14-5-3-4-6-14)22-17(23-21(19)28)11-13-7-9-15(10-8-13)29-12-18(26)27/h7-10,14,24H,2-6,11-12H2,1H3,(H,26,27)