[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] adamantane-1-carboxylate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28N4O3/c26-18(24-4-6-25(7-5-24)20-22-2-1-3-23-20)14-28-19(27)21-11-15-8-16(12-21)10-17(9-15)13-21/h1-3,15-17H,4-14H2