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

Systemtic Name: ethyl 4-(4-ethylphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-ethylphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-ethylphenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-ethylphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NC=C2C(=O)OCC)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NC=C2C(=O)OCC)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4/c1-3-15-5-7-16(8-6-15)20-18(21(29)32-4-2)14-26-22(27-20)24-12-11-23-19-10-9-17(13-25-19)28(30)31/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,25)(H,24,26,27)