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

Systemtic Name: ethyl 4-(4-tert-butylphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-tert-butylphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-tert-butylphenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-tert-butylphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-tert-butylphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C24H28N6O4 MolecularWeight: 464.51692

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H28N6O4/c1-5-34-22(31)19-15-28-23(26-13-12-25-20-11-10-18(14-27-20)30(32)33)29-21(19)16-6-8-17(9-7-16)24(2,3)4/h6-11,14-15H,5,12-13H2,1-4H3,(H,25,27)(H,26,28,29)