2-(4-ethylpiperazin-4-ium-1-yl)-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-N4-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-N4-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C15H22N7O3+ MolecularWeight: 348.38028

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

InChI

InChI=1S/C15H21N7O3/c1-2-20-5-7-21(8-6-20)15-18-13(16)12(22(23)24)14(19-15)17-10-11-4-3-9-25-11/h3-4,9H,2,5-8,10H2,1H3,(H3,16,17,18,19)/p+1