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

Systemtic Name: 2-[3-(1-cyclopentyl-3-ethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenoxy]ethanoic acid Openeye Name: 2-[3-(1-cyclopentyl-3-ethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenoxy]acetic acid CAS Name: 2-[3-(1-cyclopentyl-3-ethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenoxy]acetic acid IUPAC Name: 2-[3-(1-cyclopentyl-3-ethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenoxy]acetic acid Traditional Name: 2-[3-(1-cyclopentyl-3-ethyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenoxy]acetic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-2-15-17-19(24(23-15)13-7-3-4-8-13)21-18(22-20(17)27)12-6-5-9-14(10-12)28-11-16(25)26/h5-6,9-10,13,23H,2-4,7-8,11H2,1H3,(H,25,26)