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

Systemtic Name: 1-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(phenethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]isonipecotic acid Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c24-18(25)14-7-10-22(11-8-14)17-15(23(26)27)16(20-12-21-17)19-9-6-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,24,25)(H,19,20,21)