methyl 2-[methyl-[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H24N6O5 MolecularWeight: 416.43106

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCCN3CCOCC3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCCN3CCOCC3

InChI

InChI=1S/C19H24N6O5/c1-23(15-6-4-3-5-14(15)19(26)29-2)18-16(25(27)28)17(21-13-22-18)20-7-8-24-9-11-30-12-10-24/h3-6,13H,7-12H2,1-2H3,(H,20,21,22)