N-[5-tert-butyl-2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-[5-tert-butyl-2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-[(4-fluorophenyl)thio]acetamide Formula: C21H24FN5O2S MolecularWeight: 429.510963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C(C)(C)C)NC(=O)CSC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C(C)(C)C)NC(=O)CSC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H24FN5O2S/c1-12-13(2)23-20(25-19(12)29)27-17(10-16(26-27)21(3,4)5)24-18(28)11-30-15-8-6-14(22)7-9-15/h6-10H,11H2,1-5H3,(H,24,28)(H,23,25,29)