N4-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclohexyl-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-4-yl]-cyclohexyl-amine Formula: C17H28N6O2 MolecularWeight: 348.44322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC(=C(C(=N2)NC3CCCCC3)[N+](=O)[O-])N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=NC(=C(C(=N2)NC3CCCCC3)[N+](=O)[O-])N)C

InChI

InChI=1S/C17H28N6O2/c1-11-8-12(2)10-22(9-11)17-20-15(18)14(23(24)25)16(21-17)19-13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3,(H3,18,19,20,21)/t11-,12-/m1/s1