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

Systemtic Name: (phenylmethyl) 4-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate CAS Name: 4-(4-amino-3-iodo-1-pyrazolo[3,4-d]pyrimidinyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate Traditional Name: 4-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylic acid benzyl ester Formula: C18H19IN6O2 MolecularWeight: 478.28693

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C(=NC=N3)N)C(=N2)I)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N2C3=C(C(=NC=N3)N)C(=N2)I)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C18H19IN6O2/c19-15-14-16(20)21-11-22-17(14)25(23-15)13-6-8-24(9-7-13)18(26)27-10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H2,20,21,22)