tert-butyl 3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)azetidine-1-carboxylate Openeye Name: tert-butyl 3-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)azetidine-1-carboxylate CAS Name: 3-(4-amino-3-iodo-1-pyrazolo[3,4-d]pyrimidinyl)-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)azetidine-1-carboxylate Traditional Name: 3-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)azetidine-1-carboxylic acid tert-butyl ester Formula: C13H17IN6O2 MolecularWeight: 416.21755

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)N2C3=C(C(=NC=N3)N)C(=N2)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)N2C3=C(C(=NC=N3)N)C(=N2)I

InChI

InChI=1S/C13H17IN6O2/c1-13(2,3)22-12(21)19-4-7(5-19)20-11-8(9(14)18-20)10(15)16-6-17-11/h6-7H,4-5H2,1-3H3,(H2,15,16,17)