5-[4-(4-azanyl-1-cyclopentyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]furan-2-carboxylic acid

Systemtic Name: 5-[4-(4-azanyl-1-cyclopentyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]furan-2-carboxylic acid Openeye Name: 5-[4-(4-amino-1-cyclopentyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]furan-2-carboxylic acid CAS Name: 5-[4-(4-amino-1-cyclopentyl-3-pyrazolo[3,4-d]pyrimidinyl)phenoxy]-2-furancarboxylic acid IUPAC Name: 5-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]furan-2-carboxylic acid Traditional Name: 5-[4-(4-amino-1-cyclopentyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]-2-furoic acid Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=C(O5)C(=O)O)C(=NC=N3)N

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=C(O5)C(=O)O)C(=NC=N3)N

InChI

InChI=1S/C21H19N5O4/c22-19-17-18(25-26(13-3-1-2-4-13)20(17)24-11-23-19)12-5-7-14(8-6-12)29-16-10-9-15(30-16)21(27)28/h5-11,13H,1-4H2,(H,27,28)(H2,22,23,24)