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

Systemtic Name: methyl 4-[[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

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