1-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[(5-methyl-3-isoxazolyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C14H16N6O5 MolecularWeight: 348.31404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

InChI

InChI=1S/C14H16N6O5/c1-8-6-10(18-25-8)17-12-11(20(23)24)13(16-7-15-12)19-4-2-9(3-5-19)14(21)22/h6-7,9H,2-5H2,1H3,(H,21,22)(H,15,16,17,18)