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

Systemtic Name: butyl 4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C23H23N7O4 MolecularWeight: 461.47322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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