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

Systemtic Name: 2-chloranyl-5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-5-nitro-pyrimidin-4-amine CAS Name: 2-chloro-5-nitro-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-5-nitro-pyrimidin-4-yl]amine Formula: C15H18ClN6O2+ MolecularWeight: 349.79542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN6O2/c16-15-18-13(17)12(22(23)24)14(19-15)21-8-6-20(7-9-21)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,17,18,19)/p+1