2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl adamantane-1-carboxylate dihydrochloride

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl adamantane-1-carboxylate dihydrochloride Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl adamantane-1-carboxylate dihydrochloride CAS Name: 1-adamantanecarboxylic acid 2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl ester dihydrochloride IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl adamantane-1-carboxylate dihydrochloride Traditional Name: adamantane-1-carboxylic acid 2-[4-(2-pyrimidyl)piperazino]ethyl ester dihydrochloride Formula: C21H32Cl2N4O2 MolecularWeight: 443.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCOC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5.Cl.Cl

InChI

InChI=1S/C21H30N4O2.2ClH/c26-19(21-13-16-10-17(14-21)12-18(11-16)15-21)27-9-8-24-4-6-25(7-5-24)20-22-2-1-3-23-20;;/h1-3,16-18H,4-15H2;2*1H