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

Systemtic Name: 1-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[(4-methyl-1-piperazinyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C15H23N7O4 MolecularWeight: 365.38762

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

InChI

InChI=1S/C15H23N7O4/c1-19-6-8-21(9-7-19)18-13-12(22(25)26)14(17-10-16-13)20-4-2-11(3-5-20)15(23)24/h10-11H,2-9H2,1H3,(H,23,24)(H,16,17,18)