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

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-phenoxy-acetamide CAS Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-2-phenoxyacetamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-2-phenoxyacetamide Traditional Name: N-[2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-phenoxy-acetamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)COC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)COC4=CC=CC=C4)C

InChI

InChI=1S/C21H19N5O3S/c1-13-14(2)22-21(24-20(13)28)26-18(11-16(25-26)17-9-6-10-30-17)23-19(27)12-29-15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,23,27)(H,22,24,28)