2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethoxymethylphosphonic acid Openeye Name: 2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethoxymethylphosphonic acid CAS Name: 2-[4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethoxymethylphosphonic acid IUPAC Name: 2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethoxymethylphosphonic acid Traditional Name: 2-(4-pyrrolidinopyrazolo[3,4-d]pyrimidin-1-yl)ethoxymethylphosphonic acid Formula: C12H18N5O4P MolecularWeight: 327.276181

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=NC3=C2C=NN3CCOCP(=O)(O)O

Isomeric SMILES

C1CCN(C1)C2=NC=NC3=C2C=NN3CCOCP(=O)(O)O

InChI

InChI=1S/C12H18N5O4P/c18-22(19,20)9-21-6-5-17-12-10(7-15-17)11(13-8-14-12)16-3-1-2-4-16/h7-8H,1-6,9H2,(H2,18,19,20)