N'-[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-phenethyl-ethanediamide

Systemtic Name: N'-[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-phenethyl-ethanediamide Openeye Name: N'-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-phenethyl-oxamide CAS Name: N'-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]-N-phenethyloxamide IUPAC Name: N'-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-phenethyloxamide Traditional Name: N'-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-N-phenethyl-oxamide Formula: C21H24N6O3 MolecularWeight: 408.45366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N6O3/c1-3-7-16-13-18(28)25-21(23-16)27-17(12-14(2)26-27)24-20(30)19(29)22-11-10-15-8-5-4-6-9-15/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,22,29)(H,24,30)(H,23,25,28)