tert-butyl 4-[piperazin-1-yl-(4-piperazin-2-ylpyrimidin-2-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[piperazin-1-yl-(4-piperazin-2-ylpyrimidin-2-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[piperazin-1-yl-(4-piperazin-2-ylpyrimidin-2-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[1-piperazinyl-[4-(2-piperazinyl)-2-pyrimidinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[piperazin-1-yl-(4-piperazin-2-ylpyrimidin-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[piperazino-(4-piperazin-2-ylpyrimidin-2-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H38N8O2 MolecularWeight: 446.58952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(C2=NC=CC(=N2)C3CNCCN3)N4CCNCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(C2=NC=CC(=N2)C3CNCCN3)N4CCNCC4

InChI

InChI=1S/C22H38N8O2/c1-22(2,3)32-21(31)30-14-12-29(13-15-30)20(28-10-8-23-9-11-28)19-26-5-4-17(27-19)18-16-24-6-7-25-18/h4-5,18,20,23-25H,6-16H2,1-3H3