1-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(propylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(propylamino)pyrimidin-4-yl]isonipecotic acid Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O

InChI

InChI=1S/C13H19N5O4/c1-2-5-14-11-10(18(21)22)12(16-8-15-11)17-6-3-9(4-7-17)13(19)20/h8-9H,2-7H2,1H3,(H,19,20)(H,14,15,16)