4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-6-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-6-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-6-phenyl-pyrimidine-5-carboxylic acid Formula: C25H19N7O4 MolecularWeight: 481.46286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=N2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C25H19N7O4/c26-14-16-6-8-18(9-7-16)23-21(24(33)34)22(17-4-2-1-3-5-17)30-25(31-23)28-13-12-27-20-11-10-19(15-29-20)32(35)36/h1-11,15H,12-13H2,(H,27,29)(H,33,34)(H,28,30,31)