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

Systemtic Name: tert-butyl 4-[(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-[(4-amino-3-iodo-1-pyrazolo[3,4-d]pyrimidinyl)methyl]-4-hydroxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-[(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester Formula: C16H23IN6O3 MolecularWeight: 474.29669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CN2C3=C(C(=NC=N3)N)C(=N2)I)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CN2C3=C(C(=NC=N3)N)C(=N2)I)O

InChI

InChI=1S/C16H23IN6O3/c1-15(2,3)26-14(24)22-6-4-16(25,5-7-22)8-23-13-10(11(17)21-23)12(18)19-9-20-13/h9,25H,4-8H2,1-3H3,(H2,18,19,20)