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

Systemtic Name: ethyl 4-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C17H27N7O4 MolecularWeight: 393.44078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N7O4/c1-3-28-17(25)23-6-4-13(5-7-23)20-15-14(24(26)27)16(19-12-18-15)22-10-8-21(2)9-11-22/h12-13H,3-11H2,1-2H3,(H,18,19,20)