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

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-[2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]acetamide Formula: C18H18FN5O2S MolecularWeight: 387.431223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=CC=C(C=C2)F)C3=NC(=O)C(=C(N3)C)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=CC=C(C=C2)F)C3=NC(=O)C(=C(N3)C)C

InChI

InChI=1S/C18H18FN5O2S/c1-10-8-15(21-16(25)9-27-14-6-4-13(19)5-7-14)24(23-10)18-20-12(3)11(2)17(26)22-18/h4-8H,9H2,1-3H3,(H,21,25)(H,20,22,26)