1-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(2-thiazolylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]isonipecotic acid Formula: C13H14N6O4S MolecularWeight: 350.35306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O4S/c20-12(21)8-1-4-18(5-2-8)11-9(19(22)23)10(15-7-16-11)17-13-14-3-6-24-13/h3,6-8H,1-2,4-5H2,(H,20,21)(H,14,15,16,17)