methyl 2-[[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C17H15N5O5 MolecularWeight: 369.3315

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5/c1-26-17(23)12-6-2-3-7-13(12)21-16-14(22(24)25)15(19-10-20-16)18-9-11-5-4-8-27-11/h2-8,10H,9H2,1H3,(H2,18,19,20,21)