tert-butyl N-[1-(4-iodophenyl)-4-phenylmethoxy-pyrazolo[3,4-d]pyrimidin-6-yl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[1-(4-iodophenyl)-4-phenylmethoxy-pyrazolo[3,4-d]pyrimidin-6-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[4-benzyloxy-1-(4-iodophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]-N-methyl-carbamate CAS Name: N-[1-(4-iodophenyl)-4-phenylmethoxy-6-pyrazolo[3,4-d]pyrimidinyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-iodophenyl)-4-phenylmethoxypyrazolo[3,4-d]pyrimidin-6-yl]-N-methylcarbamate Traditional Name: N-[4-benzoxy-1-(4-iodophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]-N-methyl-carbamic acid tert-butyl ester Formula: C24H24IN5O3 MolecularWeight: 557.38353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1=NC2=C(C=NN2C3=CC=C(C=C3)I)C(=N1)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1=NC2=C(C=NN2C3=CC=C(C=C3)I)C(=N1)OCC4=CC=CC=C4

InChI

InChI=1S/C24H24IN5O3/c1-24(2,3)33-23(31)29(4)22-27-20-19(14-26-30(20)18-12-10-17(25)11-13-18)21(28-22)32-15-16-8-6-5-7-9-16/h5-14H,15H2,1-4H3