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

Systemtic Name: 1-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-[2-(1-piperidyl)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-[2-(1-piperidinyl)ethylamino]-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]isonipecotic acid Formula: C17H26N6O4 MolecularWeight: 378.42614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H26N6O4/c24-17(25)13-4-9-22(10-5-13)16-14(23(26)27)15(19-12-20-16)18-6-11-21-7-2-1-3-8-21/h12-13H,1-11H2,(H,24,25)(H,18,19,20)