ethyl 2-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethanoate

Systemtic Name: ethyl 2-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethanoate Openeye Name: ethyl 2-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)acetate CAS Name: 2-(4-amino-3-iodo-1-pyrazolo[3,4-d]pyrimidinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)acetate Traditional Name: 2-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)acetic acid ethyl ester Formula: C9H10IN5O2 MolecularWeight: 347.11247

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=NC=N2)N)C(=N1)I

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=NC=N2)N)C(=N1)I

InChI

InChI=1S/C9H10IN5O2/c1-2-17-5(16)3-15-9-6(7(10)14-15)8(11)12-4-13-9/h4H,2-3H2,1H3,(H2,11,12,13)