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

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-[(3R,5R)-3,5-dimethylpiperidino]-6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H29N7O2 MolecularWeight: 363.45786

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC(=N2)N3CC(CC(C3)C)C)N)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC(=N2)N3C[C@@H](C[C@H](C3)C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C17H29N7O2/c1-4-21-5-7-22(8-6-21)16-14(24(25)26)15(18)19-17(20-16)23-10-12(2)9-13(3)11-23/h12-13H,4-11H2,1-3H3,(H2,18,19,20)/t12-,13-/m1/s1