N2-(2-methoxyethyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(2-methoxyethyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(2-methoxyethyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(2-methoxyethyl)-6-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(2-methoxyethyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-(2-methoxyethyl)amine Formula: C12H22N7O3+ MolecularWeight: 312.34818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N7O3/c1-17-4-6-18(7-5-17)11-9(19(20)21)10(13)15-12(16-11)14-3-8-22-2/h3-8H2,1-2H3,(H3,13,14,15,16)/p+1