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

Systemtic Name: N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine CAS Name: N2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-pyrrolidino-pyrimidin-2-yl)-(2-morpholin-4-ium-4-ylethyl)amine Formula: C14H24N7O3+ MolecularWeight: 338.38546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N7O3/c15-12-11(21(22)23)13(20-4-1-2-5-20)18-14(17-12)16-3-6-19-7-9-24-10-8-19/h1-10H2,(H3,15,16,17,18)/p+1