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

Systemtic Name: ethyl 4-[[5-nitro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-nitro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[5-nitro-6-[4-(2-pyrimidinyl)-1-piperazinyl]-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-nitro-6-[4-(2-pyrimidyl)piperazino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H27N9O4 MolecularWeight: 457.48628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H27N9O4/c1-2-33-20(30)28-8-4-15(5-9-28)25-17-16(29(31)32)18(24-14-23-17)26-10-12-27(13-11-26)19-21-6-3-7-22-19/h3,6-7,14-15H,2,4-5,8-13H2,1H3,(H,23,24,25)