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

Systemtic Name: tert-butyl 3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 3-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate CAS Name: 3-(4-amino-3-iodo-1-pyrazolo[3,4-d]pyrimidinyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate Traditional Name: 3-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C15H21IN6O2 MolecularWeight: 444.27071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)N2C3=C(C(=NC=N3)N)C(=N2)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N2C3=C(C(=NC=N3)N)C(=N2)I

InChI

InChI=1S/C15H21IN6O2/c1-15(2,3)24-14(23)21-6-4-5-9(7-21)22-13-10(11(16)20-22)12(17)18-8-19-13/h8-9H,4-7H2,1-3H3,(H2,17,18,19)