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

Systemtic Name: 3,3-dimethyl-N-[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]butanamide Openeye Name: 3,3-dimethyl-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]butanamide CAS Name: 3,3-dimethyl-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]butanamide IUPAC Name: 3,3-dimethyl-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]butanamide Traditional Name: N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-3,3-dimethyl-butyramide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CC(C)(C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C20H25N5O2S/c1-5-7-13-10-17(26)23-19(21-13)25-16(22-18(27)12-20(2,3)4)11-14(24-25)15-8-6-9-28-15/h6,8-11H,5,7,12H2,1-4H3,(H,22,27)(H,21,23,26)