2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-[(3R,5R)-3,5-dimethylpiperidino]-6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H27N7O2 MolecularWeight: 349.43128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)C)C

InChI

InChI=1S/C16H27N7O2/c1-11-8-12(2)10-22(9-11)16-18-14(17)13(23(24)25)15(19-16)21-6-4-20(3)5-7-21/h11-12H,4-10H2,1-3H3,(H2,17,18,19)/t11-,12-/m1/s1