2-[[6-azanyl-2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]ethanol

Systemtic Name: 2-[[6-azanyl-2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[[6-amino-2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]ethanol CAS Name: 2-[[6-amino-2-[2-(4-morpholin-4-iumyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[6-amino-2-(2-morpholin-4-ium-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]ethanol Traditional Name: 2-[[6-amino-2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]ethanol Formula: C12H22N7O4+ MolecularWeight: 328.34758

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

Isomeric SMILES

C1COCC[NH+]1CCNC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

InChI

InChI=1S/C12H21N7O4/c13-10-9(19(21)22)11(14-2-6-20)17-12(16-10)15-1-3-18-4-7-23-8-5-18/h20H,1-8H2,(H4,13,14,15,16,17)/p+1