1-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[4-(2-hydroxyethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[4-(2-hydroxyethyl)piperazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C16H24N6O5 MolecularWeight: 380.39896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)N3CCN(CC3)CCO)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)N3CCN(CC3)CCO)[N+](=O)[O-]

InChI

InChI=1S/C16H24N6O5/c23-10-9-19-5-7-21(8-6-19)15-13(22(26)27)14(17-11-18-15)20-3-1-12(2-4-20)16(24)25/h11-12,23H,1-10H2,(H,24,25)