dimethyl 5-[[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H17N5O7 MolecularWeight: 427.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O7/c1-29-18(25)11-6-12(19(26)30-2)8-13(7-11)23-17-15(24(27)28)16(21-10-22-17)20-9-14-4-3-5-31-14/h3-8,10H,9H2,1-2H3,(H2,20,21,22,23)