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

Systemtic Name: ethyl 4-[[6-(4-ethanoylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-(4-acetylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-(4-acetyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-(4-acetylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-(4-acetylpiperazino)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H27N7O5 MolecularWeight: 421.45088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N7O5/c1-3-30-18(27)24-6-4-14(5-7-24)21-16-15(25(28)29)17(20-12-19-16)23-10-8-22(9-11-23)13(2)26/h12,14H,3-11H2,1-2H3,(H,19,20,21)