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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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