2-[4-(cyclopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[4-(cyclopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethoxymethylphosphonic acid Openeye Name: 2-[4-(cyclopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethoxymethylphosphonic acid CAS Name: 2-[4-(cyclopropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[4-(cyclopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethoxymethylphosphonic acid Traditional Name: 2-[4-(cyclopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethoxymethylphosphonic acid Formula: C11H16N5O4P MolecularWeight: 313.249601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=NC3=C2C=NN3CCOCP(=O)(O)O

Isomeric SMILES

C1CC1NC2=NC=NC3=C2C=NN3CCOCP(=O)(O)O

InChI

InChI=1S/C11H16N5O4P/c17-21(18,19)7-20-4-3-16-11-9(5-14-16)10(12-6-13-11)15-8-1-2-8/h5-6,8H,1-4,7H2,(H,12,13,15)(H2,17,18,19)