ethyl 4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H26N8O4 MolecularWeight: 442.47164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H26N8O4/c1-2-32-20(29)27-13-11-26(12-14-27)19-17(28(30)31)18(22-15-23-19)25-9-7-24(8-10-25)16-5-3-4-6-21-16/h3-6,15H,2,7-14H2,1H3