ethyl 4-(6-morpholin-4-ylpyridin-3-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(6-morpholin-4-ylpyridin-3-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(6-morpholino-3-pyridyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-[6-(4-morpholinyl)-3-pyridinyl]-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-morpholin-4-ylpyridin-3-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(6-morpholino-3-pyridyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N8O5 MolecularWeight: 494.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CN=C(C=C2)N3CCOCC3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CN=C(C=C2)N3CCOCC3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N8O5/c1-2-36-22(32)18-15-28-23(25-8-7-24-19-5-4-17(14-26-19)31(33)34)29-21(18)16-3-6-20(27-13-16)30-9-11-35-12-10-30/h3-6,13-15H,2,7-12H2,1H3,(H,24,26)(H,25,28,29)