2-[4-(4-azanyl-1-cyclopentyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]ethanamide

Systemtic Name: 2-[4-(4-azanyl-1-cyclopentyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]ethanamide Openeye Name: 2-[4-(4-amino-1-cyclopentyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]acetamide CAS Name: 2-[4-(4-amino-1-cyclopentyl-3-pyrazolo[3,4-d]pyrimidinyl)phenoxy]acetamide IUPAC Name: 2-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]acetamide Traditional Name: 2-[4-(4-amino-1-cyclopentyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]acetamide Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O2/c19-14(25)9-26-13-7-5-11(6-8-13)16-15-17(20)21-10-22-18(15)24(23-16)12-3-1-2-4-12/h5-8,10,12H,1-4,9H2,(H2,19,25)(H2,20,21,22)