[3-(2-adamantylcarbonyloxy)-2-(6-aminopurin-9-yl)propyl] adamantane-2-carboxylate

Systemtic Name: [3-(2-adamantylcarbonyloxy)-2-(6-aminopurin-9-yl)propyl] adamantane-2-carboxylate Openeye Name: [3-(adamantane-2-carbonyloxy)-2-(6-aminopurin-9-yl)propyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [3-[2-adamantyl(oxo)methoxy]-2-(6-aminopurin-9-yl)propyl] ester IUPAC Name: [3-(adamantane-2-carbonyloxy)-2-(6-aminopurin-9-yl)propyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [3-(adamantane-2-carbonyloxy)-2-adenin-9-yl-propyl] ester Formula: C30H39N5O4 MolecularWeight: 533.66176

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(COC(=O)C4C5CC6CC(C5)CC4C6)N7C=NC8=C7N=CN=C8N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(COC(=O)C4C5CC6CC(C5)CC4C6)N7C=NC8=C7N=CN=C8N

InChI

InChI=1S/C30H39N5O4/c31-27-26-28(33-13-32-27)35(14-34-26)23(11-38-29(36)24-19-3-15-1-16(5-19)6-20(24)4-15)12-39-30(37)25-21-7-17-2-18(9-21)10-22(25)8-17/h13-25H,1-12H2,(H2,31,32,33)