[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl] adamantane-1-carboxylate

Systemtic Name: [2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl] adamantane-1-carboxylate Openeye Name: [2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl] ester IUPAC Name: [2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-hydroxy-3-[4-(2-pyrimidyl)piperazino]propyl] ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC(=O)C23CC4CC(C2)CC(C4)C3)O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC(COC(=O)C23CC4CC(C2)CC(C4)C3)O)C5=NC=CC=N5

InChI

InChI=1S/C22H32N4O3/c27-19(14-25-4-6-26(7-5-25)21-23-2-1-3-24-21)15-29-20(28)22-11-16-8-17(12-22)10-18(9-16)13-22/h1-3,16-19,27H,4-15H2