2-[[4-(2,4-dichlorophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-5-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-(2,4-dichlorophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-5-yl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(2,4-dichlorophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-5-yl]carbamoyl]benzoic acid CAS Name: 2-[[[4-(2,4-dichlorophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(2,4-dichlorophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-5-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-(2,4-dichlorophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-5-yl]carbamoyl]benzoic acid Formula: C25H19Cl2N7O5 MolecularWeight: 568.36826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H19Cl2N7O5/c26-14-5-7-18(19(27)11-14)22-20(32-23(35)16-3-1-2-4-17(16)24(36)37)13-31-25(33-22)29-10-9-28-21-8-6-15(12-30-21)34(38)39/h1-8,11-13H,9-10H2,(H,28,30)(H,32,35)(H,36,37)(H,29,31,33)