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

Systemtic Name: ethyl 2-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)propanoate Openeye Name: ethyl 2-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)propanoate CAS Name: 2-(4-amino-3-iodo-1-pyrazolo[3,4-d]pyrimidinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)propanoate Traditional Name: 2-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)propionic acid ethyl ester Formula: C10H12IN5O2 MolecularWeight: 361.13905

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C2=C(C(=NC=N2)N)C(=N1)I

Isomeric SMILES

CCOC(=O)C(C)N1C2=C(C(=NC=N2)N)C(=N1)I

InChI

InChI=1S/C10H12IN5O2/c1-3-18-10(17)5(2)16-9-6(7(11)15-16)8(12)13-4-14-9/h4-5H,3H2,1-2H3,(H2,12,13,14)