4-(4-cyanophenyl)-6-(furan-3-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate

Systemtic Name: 4-(4-cyanophenyl)-6-(furan-3-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: 4-(4-cyanophenyl)-6-(3-furyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-6-(3-furanyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylate IUPAC Name: 4-(4-cyanophenyl)-6-(furan-3-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-6-(3-furyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate Formula: C23H16N7O5- MolecularWeight: 470.41704

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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=COC=C4)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=C(C(=NC(=N2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])C4=COC=C4)C(=O)[O-]

InChI

InChI=1S/C23H17N7O5/c24-11-14-1-3-15(4-2-14)20-19(22(31)32)21(16-7-10-35-13-16)29-23(28-20)26-9-8-25-18-6-5-17(12-27-18)30(33)34/h1-7,10,12-13H,8-9H2,(H,25,27)(H,31,32)(H,26,28,29)/p-1