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

Systemtic Name: 3-methyl-N-[2-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]butanamide Openeye Name: 3-methyl-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]butanamide CAS Name: 3-methyl-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-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-methyl-butyramide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2S/c1-14(2)11-20(28)24-19-12-17(18-9-6-10-30-18)26-27(19)22-23-16(13-21(29)25-22)15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3,(H,24,28)(H,23,25,29)