2-[[4-azanyl-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]ethanoate

Systemtic Name: 2-[[4-azanyl-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]ethanoate Openeye Name: 2-[[4-amino-6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidin-2-yl]amino]acetate CAS Name: 2-[[4-amino-6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitro-2-pyrimidinyl]amino]acetate IUPAC Name: 2-[[4-amino-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-2-yl]amino]acetate Traditional Name: 2-[[4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]amino]acetate Formula: C13H19N6O4- MolecularWeight: 323.32776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=NC(=N2)NCC(=O)[O-])N)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C(=NC(=N2)NCC(=O)[O-])N)[N+](=O)[O-])C

InChI

InChI=1S/C13H20N6O4/c1-7-3-8(2)6-18(5-7)12-10(19(22)23)11(14)16-13(17-12)15-4-9(20)21/h7-8H,3-6H2,1-2H3,(H,20,21)(H3,14,15,16,17)/p-1/t7-,8-/m1/s1