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

Systemtic Name: ethyl 2-[2-(1-cyclopentyl-3-ethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenoxy]ethanoate Openeye Name: ethyl 2-[2-(1-cyclopentyl-3-ethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenoxy]acetate CAS Name: 2-[2-(1-cyclopentyl-3-ethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-cyclopentyl-3-ethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenoxy]acetate Traditional Name: 2-[2-(1-cyclopentyl-3-ethyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenoxy]acetic acid ethyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)C3=CC=CC=C3OCC(=O)OCC)N(N1)C4CCCC4

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)C3=CC=CC=C3OCC(=O)OCC)N(N1)C4CCCC4

InChI

InChI=1S/C22H26N4O4/c1-3-16-19-21(26(25-16)14-9-5-6-10-14)23-20(24-22(19)28)15-11-7-8-12-17(15)30-13-18(27)29-4-2/h7-8,11-12,14,25H,3-6,9-10,13H2,1-2H3