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

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19FN6O4 MolecularWeight: 426.401063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN6O4/c1-2-31-19(28)16-12-25-20(26-18(16)13-3-5-14(21)6-4-13)23-10-9-22-17-8-7-15(11-24-17)27(29)30/h3-8,11-12H,2,9-10H2,1H3,(H,22,24)(H,23,25,26)