N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2-propyl-pentanamide

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2-propyl-pentanamide Openeye Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-propyl-pentanamide CAS Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-2-propylpentanamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-2-propylpentanamide Traditional Name: N-[2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-propyl-valeramide Formula: C21H27N5O2S MolecularWeight: 413.53638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=CC(=NN1C2=NC(=O)C(=C(N2)C)C)C3=CC=CS3

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC(=NN1C2=NC(=O)C(=C(N2)C)C)C3=CC=CS3

InChI

InChI=1S/C21H27N5O2S/c1-5-8-15(9-6-2)20(28)23-18-12-16(17-10-7-11-29-17)25-26(18)21-22-14(4)13(3)19(27)24-21/h7,10-12,15H,5-6,8-9H2,1-4H3,(H,23,28)(H,22,24,27)