6-(3-fluoranyl-2-oxidanyl-phenyl)-2-methyl-3-(4-methylthiophen-2-yl)-5-phenethyl-pyrimidin-4-one

Systemtic Name: 6-(3-fluoranyl-2-oxidanyl-phenyl)-2-methyl-3-(4-methylthiophen-2-yl)-5-phenethyl-pyrimidin-4-one Openeye Name: 6-(3-fluoro-2-hydroxy-phenyl)-2-methyl-3-(4-methyl-2-thienyl)-5-phenethyl-pyrimidin-4-one CAS Name: 6-(3-fluoro-2-hydroxyphenyl)-2-methyl-3-(4-methyl-2-thiophenyl)-5-phenethyl-4-pyrimidinone IUPAC Name: 6-(3-fluoro-2-hydroxyphenyl)-2-methyl-3-(4-methylthiophen-2-yl)-5-phenethylpyrimidin-4-one Traditional Name: 6-(3-fluoro-2-hydroxy-phenyl)-2-methyl-3-(4-methyl-2-thienyl)-5-phenethyl-pyrimidin-4-one Formula: C24H21FN2O2S MolecularWeight: 420.499143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)N2C(=NC(=C(C2=O)CCC3=CC=CC=C3)C4=C(C(=CC=C4)F)O)C

Isomeric SMILES

CC1=CSC(=C1)N2C(=NC(=C(C2=O)CCC3=CC=CC=C3)C4=C(C(=CC=C4)F)O)C

InChI

InChI=1S/C24H21FN2O2S/c1-15-13-21(30-14-15)27-16(2)26-22(18-9-6-10-20(25)23(18)28)19(24(27)29)12-11-17-7-4-3-5-8-17/h3-10,13-14,28H,11-12H2,1-2H3