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

Systemtic Name: 2-[[4-azanyl-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]ethanol Openeye Name: 2-[[4-amino-6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidin-2-yl]amino]ethanol CAS Name: 2-[[4-amino-6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitro-2-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[4-amino-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-2-yl]amino]ethanol Traditional Name: 2-[[4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]amino]ethanol Formula: C13H22N6O3 MolecularWeight: 310.35218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N6O3/c1-8-5-9(2)7-18(6-8)12-10(19(21)22)11(14)16-13(17-12)15-3-4-20/h8-9,20H,3-7H2,1-2H3,(H3,14,15,16,17)/t8-,9-/m1/s1