ethyl 3-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C19H24N6O5 MolecularWeight: 416.43106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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