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

Systemtic Name: 2-[[4-azanyl-6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-2-yl]amino]ethanoic acid Openeye Name: 2-[[4-amino-6-(2-furylmethylamino)-5-nitro-pyrimidin-2-yl]amino]acetic acid CAS Name: 2-[[4-amino-6-(2-furanylmethylamino)-5-nitro-2-pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[4-amino-6-(furan-2-ylmethylamino)-5-nitropyrimidin-2-yl]amino]acetic acid Traditional Name: 2-[[4-amino-6-(2-furfurylamino)-5-nitro-pyrimidin-2-yl]amino]acetic acid Formula: C11H12N6O5 MolecularWeight: 308.25018

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)O

Isomeric SMILES

C1=COC(=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)O

InChI

InChI=1S/C11H12N6O5/c12-9-8(17(20)21)10(13-4-6-2-1-3-22-6)16-11(15-9)14-5-7(18)19/h1-3H,4-5H2,(H,18,19)(H4,12,13,14,15,16)