tert-butyl 1-[9-[3-(1-adamantylmethoxycarbonylamino)oxy-3-oxidanylidene-propyl]purin-6-yl]piperidine-4-carboxylate

Systemtic Name: tert-butyl 1-[9-[3-(1-adamantylmethoxycarbonylamino)oxy-3-oxidanylidene-propyl]purin-6-yl]piperidine-4-carboxylate Openeye Name: tert-butyl 1-[9-[3-(1-adamantylmethoxycarbonylamino)oxy-3-oxo-propyl]purin-6-yl]piperidine-4-carboxylate CAS Name: 1-[9-[3-[[1-adamantylmethoxy(oxo)methyl]amino]oxy-3-oxopropyl]-6-purinyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[9-[3-(1-adamantylmethoxycarbonylamino)oxy-3-oxopropyl]purin-6-yl]piperidine-4-carboxylate Traditional Name: 1-[9-[3-(1-adamantylmethoxycarbonylamino)oxy-3-keto-propyl]purin-6-yl]isonipecotic acid tert-butyl ester Formula: C30H42N6O6 MolecularWeight: 582.69108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCN(CC1)C2=NC=NC3=C2N=CN3CCC(=O)ONC(=O)OCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)(C)OC(=O)C1CCN(CC1)C2=NC=NC3=C2N=CN3CCC(=O)ONC(=O)OCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H42N6O6/c1-29(2,3)41-27(38)22-4-7-35(8-5-22)25-24-26(32-17-31-25)36(18-33-24)9-6-23(37)42-34-28(39)40-16-30-13-19-10-20(14-30)12-21(11-19)15-30/h17-22H,4-16H2,1-3H3,(H,34,39)