6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N2-benzyl-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-benzyl-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-benzyl-amine Formula: C17H24N7O2+ MolecularWeight: 358.41816

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O2/c1-2-22-8-10-23(11-9-22)16-14(24(25)26)15(18)20-17(21-16)19-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H3,18,19,20,21)/p+1