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

Systemtic Name: tert-butyl 3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate CAS Name: 3-(4-amino-3-iodo-1-pyrazolo[3,4-d]pyrimidinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate Traditional Name: 3-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C14H19IN6O2 MolecularWeight: 430.24413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N2C3=C(C(=NC=N3)N)C(=N2)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)N2C3=C(C(=NC=N3)N)C(=N2)I

InChI

InChI=1S/C14H19IN6O2/c1-14(2,3)23-13(22)20-5-4-8(6-20)21-12-9(10(15)19-21)11(16)17-7-18-12/h7-8H,4-6H2,1-3H3,(H2,16,17,18)