tert-butyl 4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N7O4/c1-23(2,3)34-21(31)18-14-28-22(29-20(18)16-6-4-15(12-24)5-7-16)26-11-10-25-19-9-8-17(13-27-19)30(32)33/h4-9,13-14H,10-11H2,1-3H3,(H,25,27)(H,26,28,29)