N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine CAS Name: N2-[3-(4-morpholin-4-iumyl)propyl]-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-pyrrolidino-pyrimidin-2-yl)-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C15H26N7O3+ MolecularWeight: 352.41204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC(=N2)NCCC[NH+]3CCOCC3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC(=N2)NCCC[NH+]3CCOCC3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H25N7O3/c16-13-12(22(23)24)14(21-6-1-2-7-21)19-15(18-13)17-4-3-5-20-8-10-25-11-9-20/h1-11H2,(H3,16,17,18,19)/p+1