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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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