5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-piperidin-1-yl-pyrimidin-4-amine

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-piperidin-1-yl-pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-2-(1-piperidyl)pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-2-piperidin-1-ylpyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-2-piperidino-pyrimidin-4-yl]amine Formula: C20H28N7O2+ MolecularWeight: 398.48202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H27N7O2/c21-18-17(27(28)29)19(23-20(22-18)26-9-5-2-6-10-26)25-13-11-24(12-14-25)15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2,(H2,21,22,23)/p+1