N4-cyclohexyl-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-cyclohexyl-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-cyclohexyl-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-cyclohexyl-N2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-cyclohexyl-2-N-(2-morpholin-4-ium-4-ylethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(cyclohexylamino)-5-nitro-pyrimidin-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C16H28N7O3+ MolecularWeight: 366.43862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC[NH+]3CCOCC3

InChI

InChI=1S/C16H27N7O3/c17-14-13(23(24)25)15(19-12-4-2-1-3-5-12)21-16(20-14)18-6-7-22-8-10-26-11-9-22/h12H,1-11H2,(H4,17,18,19,20,21)/p+1