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

Systemtic Name: dimethyl 5-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H24N6O7 MolecularWeight: 460.44056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H24N6O7/c1-31-19(27)13-9-14(20(28)32-2)11-15(10-13)24-18-16(26(29)30)17(22-12-23-18)21-3-4-25-5-7-33-8-6-25/h9-12H,3-8H2,1-2H3,(H2,21,22,23,24)