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

Systemtic Name: methyl 5-[4-(4-azanyl-1-cyclopentyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]furan-2-carboxylate Openeye Name: methyl 5-[4-(4-amino-1-cyclopentyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]furan-2-carboxylate CAS Name: 5-[4-(4-amino-1-cyclopentyl-3-pyrazolo[3,4-d]pyrimidinyl)phenoxy]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]furan-2-carboxylate Traditional Name: 5-[4-(4-amino-1-cyclopentyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]furan-2-carboxylic acid methyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)OC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCCC5

Isomeric SMILES

COC(=O)C1=CC=C(O1)OC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCCC5

InChI

InChI=1S/C22H21N5O4/c1-29-22(28)16-10-11-17(31-16)30-15-8-6-13(7-9-15)19-18-20(23)24-12-25-21(18)27(26-19)14-4-2-3-5-14/h6-12,14H,2-5H2,1H3,(H2,23,24,25)