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

Systemtic Name: 6-(3-fluoranyl-2-oxidanyl-phenyl)-2-methyl-5-phenethyl-3-(5-phenylthiophen-2-yl)pyrimidin-4-one Openeye Name: 6-(3-fluoro-2-hydroxy-phenyl)-2-methyl-5-phenethyl-3-(5-phenyl-2-thienyl)pyrimidin-4-one CAS Name: 6-(3-fluoro-2-hydroxyphenyl)-2-methyl-5-phenethyl-3-(5-phenyl-2-thiophenyl)-4-pyrimidinone IUPAC Name: 6-(3-fluoro-2-hydroxyphenyl)-2-methyl-5-phenethyl-3-(5-phenylthiophen-2-yl)pyrimidin-4-one Traditional Name: 6-(3-fluoro-2-hydroxy-phenyl)-2-methyl-5-phenethyl-3-(5-phenyl-2-thienyl)pyrimidin-4-one Formula: C29H23FN2O2S MolecularWeight: 482.568523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1C2=CC=C(S2)C3=CC=CC=C3)CCC4=CC=CC=C4)C5=C(C(=CC=C5)F)O

Isomeric SMILES

CC1=NC(=C(C(=O)N1C2=CC=C(S2)C3=CC=CC=C3)CCC4=CC=CC=C4)C5=C(C(=CC=C5)F)O

InChI

InChI=1S/C29H23FN2O2S/c1-19-31-27(22-13-8-14-24(30)28(22)33)23(16-15-20-9-4-2-5-10-20)29(34)32(19)26-18-17-25(35-26)21-11-6-3-7-12-21/h2-14,17-18,33H,15-16H2,1H3