N4-cyclohexyl-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-cyclohexyl-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-cyclohexyl-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-cyclohexyl-N2-[3-(4-morpholin-4-iumyl)propyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-cyclohexyl-2-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(cyclohexylamino)-5-nitro-pyrimidin-2-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C17H30N7O3+ MolecularWeight: 380.4652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N7O3/c18-15-14(24(25)26)16(20-13-5-2-1-3-6-13)22-17(21-15)19-7-4-8-23-9-11-27-12-10-23/h13H,1-12H2,(H4,18,19,20,21,22)/p+1