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

Systemtic Name: N-[5-tert-butyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[5-tert-butyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[5-tert-butyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[5-tert-butyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-[5-tert-butyl-2-(4-keto-6-methyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-[(4-fluorophenyl)thio]acetamide Formula: C20H22FN5O2S MolecularWeight: 415.484383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN5O2S/c1-12-9-17(27)24-19(22-12)26-16(10-15(25-26)20(2,3)4)23-18(28)11-29-14-7-5-13(21)6-8-14/h5-10H,11H2,1-4H3,(H,23,28)(H,22,24,27)