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

Systemtic Name: 3-(4-fluorophenyl)-2-methyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(4-fluorophenyl)-2-methyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(4-fluorophenyl)-2-methyl-5-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(4-fluorophenyl)-2-methyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-(4-fluorophenyl)-2-methyl-5-[[(4-methylpyrimidin-2-yl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C19H16FN5OS MolecularWeight: 381.426643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H16FN5OS/c1-11-7-8-21-19(22-11)27-10-15-9-16(26)25-18(23-15)17(12(2)24-25)13-3-5-14(20)6-4-13/h3-9,24H,10H2,1-2H3