N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furyl)pyrazol-3-yl]-2-(4-nitrophenyl)acetamide CAS Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furanyl)-3-pyrazolyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-furyl)pyrazol-3-yl]-2-(4-nitrophenyl)acetamide Formula: C22H20N6O5 MolecularWeight: 448.4314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H20N6O5/c1-3-16-13(2)23-22(25-21(16)30)27-19(12-17(26-27)18-5-4-10-33-18)24-20(29)11-14-6-8-15(9-7-14)28(31)32/h4-10,12H,3,11H2,1-2H3,(H,24,29)(H,23,25,30)