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

Systemtic Name: ethyl 4-(4-cyanophenyl)-6-ethyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-6-ethyl-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-6-ethyl-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-6-ethyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-6-ethyl-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N7O4 MolecularWeight: 461.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC(=C1C(=O)OCC)C2=CC=C(C=C2)C#N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NC(=C1C(=O)OCC)C2=CC=C(C=C2)C#N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N7O4/c1-3-18-20(22(31)34-4-2)21(16-7-5-15(13-24)6-8-16)29-23(28-18)26-12-11-25-19-10-9-17(14-27-19)30(32)33/h5-10,14H,3-4,11-12H2,1-2H3,(H,25,27)(H,26,28,29)