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

Systemtic Name: 4,6-bis(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid Openeye Name: 4,6-bis(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid CAS Name: 4,6-bis(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid IUPAC Name: 4,6-bis(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid Traditional Name: 4,6-bis(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid Formula: C26H18N8O4 MolecularWeight: 506.47232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)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(=CC=C1C#N)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/C26H18N8O4/c27-13-16-1-5-18(6-2-16)23-22(25(35)36)24(19-7-3-17(14-28)4-8-19)33-26(32-23)30-12-11-29-21-10-9-20(15-31-21)34(37)38/h1-10,15H,11-12H2,(H,29,31)(H,35,36)(H,30,32,33)