2-[[6-azanyl-2-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]ethanol

Systemtic Name: 2-[[6-azanyl-2-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[[6-amino-2-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]amino]ethanol CAS Name: 2-[[6-amino-2-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]ethanol Traditional Name: 2-[[6-amino-2-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amino]ethanol Formula: C11H14N6O4 MolecularWeight: 294.26666

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

Isomeric SMILES

C1=COC(=C1)CNC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

InChI

InChI=1S/C11H14N6O4/c12-9-8(17(19)20)10(13-3-4-18)16-11(15-9)14-6-7-2-1-5-21-7/h1-2,5,18H,3-4,6H2,(H4,12,13,14,15,16)