2-[(4-azanyl-5-nitro-6-piperidin-1-yl-pyrimidin-2-yl)amino]ethanoate

Systemtic Name: 2-[(4-azanyl-5-nitro-6-piperidin-1-yl-pyrimidin-2-yl)amino]ethanoate Openeye Name: 2-[[4-amino-5-nitro-6-(1-piperidyl)pyrimidin-2-yl]amino]acetate CAS Name: 2-[[4-amino-5-nitro-6-(1-piperidinyl)-2-pyrimidinyl]amino]acetate IUPAC Name: 2-[(4-amino-5-nitro-6-piperidin-1-ylpyrimidin-2-yl)amino]acetate Traditional Name: 2-[(4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)amino]acetate Formula: C11H15N6O4- MolecularWeight: 295.2746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC(=N2)NCC(=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC(=N2)NCC(=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C11H16N6O4/c12-9-8(17(20)21)10(16-4-2-1-3-5-16)15-11(14-9)13-6-7(18)19/h1-6H2,(H,18,19)(H3,12,13,14,15)/p-1