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

Systemtic Name: 3,3-dimethyl-N-[2-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]butanamide Openeye Name: 3,3-dimethyl-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]butanamide CAS Name: 3,3-dimethyl-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]butanamide IUPAC Name: 3,3-dimethyl-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]butanamide Traditional Name: N-[2-(4-keto-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-3,3-dimethyl-butyramide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=NN1C2=NC(=O)C=C(N2)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=NN1C2=NC(=O)C=C(N2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H23N5O2S/c1-23(2,3)14-21(30)25-19-12-17(18-10-7-11-31-18)27-28(19)22-24-16(13-20(29)26-22)15-8-5-4-6-9-15/h4-13H,14H2,1-3H3,(H,25,30)(H,24,26,29)