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

Systemtic Name: N4-(furan-2-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-furylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-furanylmethyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C14H20N7O3+ MolecularWeight: 334.3537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N7O3/c1-19-4-6-20(7-5-19)14-17-12(15)11(21(22)23)13(18-14)16-9-10-3-2-8-24-10/h2-3,8H,4-7,9H2,1H3,(H3,15,16,17,18)/p+1