[3-(2-adamantylcarbonyloxy)-2-(6-oxidanylidene-3H-purin-9-yl)propyl] adamantane-2-carboxylate

Systemtic Name: [3-(2-adamantylcarbonyloxy)-2-(6-oxidanylidene-3H-purin-9-yl)propyl] adamantane-2-carboxylate Openeye Name: [3-(adamantane-2-carbonyloxy)-2-(6-oxo-3H-purin-9-yl)propyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [3-[2-adamantyl(oxo)methoxy]-2-(6-oxo-3H-purin-9-yl)propyl] ester IUPAC Name: [3-(adamantane-2-carbonyloxy)-2-(6-oxo-3H-purin-9-yl)propyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [3-(adamantane-2-carbonyloxy)-2-(6-keto-3H-purin-9-yl)propyl] ester Formula: C30H38N4O5 MolecularWeight: 534.64652

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(COC(=O)C4C5CC6CC(C5)CC4C6)N7C=NC8=C7NC=NC8=O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(COC(=O)C4C5CC6CC(C5)CC4C6)N7C=NC8=C7NC=NC8=O

InChI

InChI=1S/C30H38N4O5/c35-28-26-27(31-13-32-28)34(14-33-26)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,(H,31,32,35)