2-ethyl-3-(4-fluorophenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-ethyl-3-(4-fluorophenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-ethyl-3-(4-fluorophenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 2-ethyl-3-(4-fluorophenyl)-5-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-ethyl-3-(4-fluorophenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-ethyl-3-(4-fluorophenyl)-5-[[(4-methylpyrimidin-2-yl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C20H18FN5OS MolecularWeight: 395.453223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC(=CC(=O)N2N1)CSC3=NC=CC(=N3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=C(C2=NC(=CC(=O)N2N1)CSC3=NC=CC(=N3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN5OS/c1-3-16-18(13-4-6-14(21)7-5-13)19-24-15(10-17(27)26(19)25-16)11-28-20-22-9-8-12(2)23-20/h4-10,25H,3,11H2,1-2H3