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

Systemtic Name: ethyl 4-(5-bromanylpyridin-3-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(5-bromo-3-pyridyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(5-bromo-3-pyridinyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-bromopyridin-3-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(5-bromo-3-pyridyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H18BrN7O4 MolecularWeight: 488.29472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC(=CN=C2)Br)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC(=CN=C2)Br)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrN7O4/c1-2-31-18(28)15-11-25-19(26-17(15)12-7-13(20)9-21-8-12)23-6-5-22-16-4-3-14(10-24-16)27(29)30/h3-4,7-11H,2,5-6H2,1H3,(H,22,24)(H,23,25,26)