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

Systemtic Name: ethyl 2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-4-(4-propan-2-ylphenyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-isopropylphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-(4-propan-2-ylphenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-4-(4-propan-2-ylphenyl)pyrimidine-5-carboxylate Traditional Name: 2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-4-p-cumenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N6O4 MolecularWeight: 450.49034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O4/c1-4-33-22(30)19-14-27-23(28-21(19)17-7-5-16(6-8-17)15(2)3)25-12-11-24-20-10-9-18(13-26-20)29(31)32/h5-10,13-15H,4,11-12H2,1-3H3,(H,24,26)(H,25,27,28)