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

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C15H19N6O2+ MolecularWeight: 315.35036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=NC=N3)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=NC=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O2/c16-14-13(21(22)23)15(18-11-17-14)20-8-6-19(7-9-20)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H2,16,17,18)/p+1