4-butoxy-N-[2-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide

Systemtic Name: 4-butoxy-N-[2-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide Openeye Name: 4-butoxy-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide CAS Name: 4-butoxy-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]benzamide IUPAC Name: 4-butoxy-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]benzamide Traditional Name: 4-butoxy-N-[2-(4-keto-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide Formula: C28H25N5O3S MolecularWeight: 511.5948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3=NC(=O)C=C(N3)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3=NC(=O)C=C(N3)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C28H25N5O3S/c1-2-3-15-36-21-13-11-20(12-14-21)27(35)30-25-17-23(24-10-7-16-37-24)32-33(25)28-29-22(18-26(34)31-28)19-8-5-4-6-9-19/h4-14,16-18H,2-3,15H2,1H3,(H,30,35)(H,29,31,34)